Organoheterocyclic compounds
N-methyl-(2-methyl-1,3-oxazol-4-yl)methylamine, Thermo Scientific™
CAS: 1065073-46-2 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 InChI Key: SFLPQWGHHRKLNJ-UHFFFAOYSA-N Synonym: methyl 2-methyl-1,3-oxazol-4-yl methyl amine,4-methylaminomethyl-2-methyl-1,3-oxazole,4-oxazolemethanamine, n,2-dimethyl,2-methyl-4-methylamino methyl-1,3-oxazole,methyl 2-methyl 1,3-oxazol-4-yl methyl amine,n-methyl-1-2-methyl-1,3-oxazol-4-yl methanamine,n-methyl-1-2-methyl-1,3-oxazol-4-yl methylamine,n-methyl-2-methyl-1,3-oxazol-4-yl methylamine PubChem CID: 44119607 IUPAC Name: N-methyl-1-(2-methyl-1,3-oxazol-4-yl)methanamine SMILES: CC1=NC(=CO1)CNC
5-Phenyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 99924-18-2 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00105447 InChI Key: RUKDIKJSGDVSIF-UHFFFAOYSA-N Synonym: 5-phenyloxazole-4-carboxylic acid,5-phenyl-4-oxazolecarboxylic acid,4-oxazolecarboxylic acid, 5-phenyl,5-phenyl-oxazole-4-carboxylic acid,buttpark 15357-35,4-carboxy-5-phenyl-1,3-oxazole,4-oxazolecarboxylicacid, 5-phenyl,5-phenyl-1,3-oxazol-4-ylcarboxylic acid,saltdata: free,2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid methyl ester PubChem CID: 2776299 IUPAC Name: 5-phenyl-1,3-oxazole-4-carboxylic acid SMILES: OC(=O)C1=C(OC=N1)C1=CC=CC=C1
1,3-Benzodioxol-5-ylacetyl chloride, ≥97%, Thermo Scientific™
CAS: 6845-81-4 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.60 MDL Number: MFCD03424722 InChI Key: HGSZGCXMAJSUSC-UHFFFAOYSA-N Synonym: benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride PubChem CID: 2756584 SMILES: ClC(=O)CC1=CC2=C(OCO2)C=C1
n-(1,3-benzodioxol-5-ylmethyl)-n-methylamine, 97%, Thermo Scientific™
CAS: 15205-27-3 Molecular Formula: C9H12NO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD04496422 InChI Key: CEPGPPSMCRKGFJ-UHFFFAOYSA-O Synonym: n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine PubChem CID: 421238 SMILES: C[NH2+]CC1=CC=C2OCOC2=C1
Berberine chloride
CAS: 633-65-8 Molecular Formula: C20H18ClNO4 Molecular Weight (g/mol): 371.817 MDL Number: MFCD00011939 InChI Key: VKJGBAJNNALVAV-UHFFFAOYSA-M Synonym: berberine chloride,berberine hydrochloride,natural yellow 18,benzodioxide,berberinium chloride,berberine hcl,unii-uot4o1byv8,berberine chloride jan,uot4o1byv8 PubChem CID: 12456 ChEBI: CHEBI:31271 SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
5-(Isocyanatomethyl)-1,3-benzodioxole, ≥97%, Thermo Scientific™
CAS: 71217-46-4 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD08435909 InChI Key: RIUNOJGBBOBVDE-UHFFFAOYSA-N Synonym: 5-isocyanatomethyl-2h-1,3-benzodioxole,5-isocyanatomethyl-1,3-benzodioxole,1,3-benzodioxole,5-isocyanatomethyl,1,3-benzodioxole, 5-isocyanatomethyl,3,4-methylenedioxy benzyl isocyanate,1,3-benzodioxol-5-ylmethyl isocyanate,5-isocyanatomethyl benzo d 1,3 dioxole,2h-benzo 3,4-d 1,3-dioxolan-5-ylmethanisocyanate PubChem CID: 15932354 IUPAC Name: 5-(isocyanatomethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CN=C=O
Coproporphyrin I Tetramethyl Ester, Sigma-Aldrich
Molecular Weight (g/mol): 710.82 g/mol
Bilirubin, MP Biomedicals™
CAS: 635-65-4 Molecular Formula: C33H36N4O6 Molecular Weight (g/mol): 584.67 MDL Number: MFCD00005499 InChI Key: BPYKTIZUTYGOLE-IFADSCNNSA-N Synonym: bilirubin,hematoidin,hemetoidin,bilirubin ix-alpha,principal bile pigment,unii-rfm9x3lj49,bilirubin ixalpha,21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo,rfm9x3lj49,biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl PubChem CID: 5280352 ChEBI: CHEBI:16990 IUPAC Name: 3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid SMILES: CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1
MilliporeSigma™ Hemin Chloride, Calbiochem™,
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
Iron(III) meso-tetraphenylporphine-mu-oxo dimer
CAS: 12582-61-5 Molecular Formula: C88H58Fe2N8O Molecular Weight (g/mol): 1355.177 MDL Number: MFCD00058898 InChI Key: JTFKJCUSDKAMIA-UHFFFAOYSA-N Synonym: iron iii meso-tetraphenylporphine-mu-oxo dimer,iron,m-oxobis 5,10,15,20-tetraphenyl-21h,23h-porphinato 2--kn21,kn22,kn23,kn24 di PubChem CID: 11981848 IUPAC Name: iron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrate SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Fe+2].[Fe+2]
Creatinine, MP Biomedicals
CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 MDL Number: MFCD00059730 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N
Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, ≥95%, Thermo Scientific™
CAS: 256353-38-5 Molecular Formula: C13H10F3NO2S Molecular Weight (g/mol): 301.28 MDL Number: MFCD00832742 InChI Key: FYUVISRLFPIWPP-UHFFFAOYSA-N Synonym: methyl 3-amino-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,methyl 3-amino-4-phenyl-5-trifluoromethyl-thiophene-2-carboxylate,2-thiophenecarboxylicacid, 3-amino-4-phenyl-5-trifluoromethyl-, methyl ester,maybridge1_007879,methyl 3-amino-4-phenyl-5-trifuoromethyl thiophene-2carboxylate,methyl 3-azanyl-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,methyl-3-amino-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,3-amino-4-phenyl-5-trifluoromethyl-2-thiophenecarboxylic acid methyl ester PubChem CID: 2775320 IUPAC Name: methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate SMILES: COC(=O)C1=C(N)C(=C(S1)C(F)(F)F)C1=CC=CC=C1
5-Nitrothiophene-3-carbonitrile, 97%, Thermo Scientific™
CAS: 42137-23-5 Molecular Formula: C5H2N2O2S Molecular Weight (g/mol): 154.14 MDL Number: MFCD00052580 InChI Key: NACMZLGGHMPMKQ-UHFFFAOYSA-N Synonym: 2-nitrothiophene-4-carbonitrile,acmc-1aogv,maybridge1_003117,2-nitro-4-cyanothiophene,4-cyano-2-nitrothiophene,5-nitro-3-thiophenecarbonitrile,nacmzlgghmpmkq-uhfffaoysa,5-nitro-3-thiophenecarbonitrile #,5-nitro-thiophene-3-carbonitrile,5-nitro-3-thiophenecarbonitrile; 2-nitro-4-cyanothiophene; 2-cyano-4-nitrothiophene PubChem CID: 142579 IUPAC Name: 5-nitrothiophene-3-carbonitrile SMILES: [O-][N+](=O)C1=CC(=CS1)C#N
![5-[(Benzoylamino)methyl]thiophene-2-sulfonyl chloride, 97%, Thermo Scientific™](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-138872-44-3.jpg-250.jpg)
5-[(Benzoylamino)methyl]thiophene-2-sulfonyl chloride, 97%, Thermo Scientific™
CAS: 138872-44-3 Molecular Formula: C12H10ClNO3S2 Molecular Weight (g/mol): 315.786 MDL Number: MFCD00052130 InChI Key: VGSWVDWOXYTAPG-UHFFFAOYSA-N Synonym: 5-benzoylamino methyl thiophene-2-sulfonyl chloride,5-benzamidomethyl thiophene-2-sulfonyl chloride,2-benzoylaminomethyl thiophene-5-sulfonylchloride,2-benzoylaminomethyl thiophene-5-sulfonyl chloride,2-thiophenesulfonylchloride, 5-benzoylamino methyl,5-phenylformamido methyl thiophene-2-sulfonyl chloride,5-benzoylamino methyl thiophene-2-sulphonyl chloride,pubchem5470,acmc-20c3wu,5-benzamidomethyl thiophene-2-sulfonylchloride PubChem CID: 2778878 IUPAC Name: 5-(benzamidomethyl)thiophene-2-sulfonyl chloride SMILES: C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl
5-(Methylthio)thiophene-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 20873-58-9 Molecular Formula: C6H6O2S2 Molecular Weight (g/mol): 174.232 MDL Number: MFCD00173742 InChI Key: FWFWUSLBIIIIEN-UHFFFAOYSA-N Synonym: 5-methylthio thiophene-2-carboxylic acid,5-methylsulfanyl thiophene-2-carboxylic acid,2-thiophenecarboxylic acid, 5-methylthio,2-thiophenecarboxylicacid, 5-methylthio,5-methylthiothiophene-2-carboxylic acid,maybridge1_007717,d04ngc,cambridge id 5103856,5-methylmercaptothiophene-2-carboxylic,5-methylthio-2-thiophenecarboxylic acid PubChem CID: 714372 IUPAC Name: 5-methylsulfanylthiophene-2-carboxylic acid SMILES: CSC1=CC=C(S1)C(=O)O