Organoheterocyclic compounds
N-BOC-Hexahydro-1H-azepin-4-one, 97%
CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD03788435 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1
3-Methylxanthine, 98+%
CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2
3-Methylthiophene-2-carbonitrile, 96%
CAS: 55406-13-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.173 MDL Number: MFCD00052086 InChI Key: ALZHYEITUZEZMT-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarbonitrile,2-cyano-3-methylthiophene,acmc-1axot,3-methyl-thiophene-2-carbonitrile,3-methyl-2-thiophenecarbonitrile # PubChem CID: 521617 IUPAC Name: 3-methylthiophene-2-carbonitrile SMILES: CC1=C(SC=C1)C#N
Furan-3-sulfonyl chloride, ≥97%, Thermo Scientific™
CAS: 52665-49-3 Molecular Formula: C4H3ClO3S Molecular Weight (g/mol): 166.575 MDL Number: MFCD08271875 InChI Key: PCBBEIXTVWWTAK-UHFFFAOYSA-N Synonym: 3-furansulfonyl chloride,furan-3-sulfonylchloride,chloro-3-furylsulfone,3-furansulfonylchlorid,3-furansulfonylchloride,3-furylsulfonyl chloride,3-chlorosulphonyl furan,3-furansulfonyl chloride;,3-furanylsulfonyl chloride,3-furylsulfonyl chloride; PubChem CID: 22179302 IUPAC Name: furan-3-sulfonyl chloride SMILES: C1=COC=C1S(=O)(=O)Cl
Thiophene-3-acetic acid hydrazide, 97%
CAS: 175276-94-5 Molecular Formula: C6H8N2OS Molecular Weight (g/mol): 156.20 MDL Number: MFCD00052946 InChI Key: YNMRDHMMFCGQBD-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl acetohydrazide,thiophene-3-acetic acid hydrazide,2-3-thienyl acetohydrazide,2-thien-3-yl acetohydrazide,3-thiopheneacetic acid,hydrazide,3 thienyl-acetic acid hydrazide,2-thien-3-ylacetohydrazide,acmc-20ajii,maybridge1_008350,3-thienyl acetohydrazide PubChem CID: 468649 IUPAC Name: 2-thiophen-3-ylacetohydrazide SMILES: NNC(=O)CC1=CSC=C1
4-Cyanopyridine, 98%
CAS: 100-48-1 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00006417 InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N Synonym: 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 PubChem CID: 7506 ChEBI: CHEBI:28020 IUPAC Name: pyridine-4-carbonitrile SMILES: C1=CN=CC=C1C#N
3-Thiopheneacetonitrile, 98%
CAS: 13781-53-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.17 MDL Number: MFCD00005471 InChI Key: GWZCLMWEJWPFFA-UHFFFAOYSA-N Synonym: 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile PubChem CID: 83730 IUPAC Name: 2-thiophen-3-ylacetonitrile SMILES: N#CCC1=CSC=C1
Phenazine, 98%
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00005023 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
4-(1H-1,2,4-triazol-1-yl)aniline, 97%, Thermo Scientific™
CAS: 6523-49-5 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD00171470 InChI Key: BLNPEJXSNSBBNM-UHFFFAOYSA-N Synonym: 4-1,2,4 triazol-1-yl-phenylamine,4-1h-1,2,4-triazol-1-yl aniline,4-1,2,4-triazol-1-yl aniline,1-4-aminophenyl-1,2,4-triazole,triazolylaniline,1-4'-aminophenyl-1,2,4-triazole,benzenamine, 4-1h-1,2,4-triazol-1-yl,4-1h-1,2,4-triazol-1-yl benzenamine,4-1,2,4-triazolyl phenylamine,pubchem3927 PubChem CID: 735826 IUPAC Name: 4-(1,2,4-triazol-1-yl)aniline SMILES: C1=CC(=CC=C1N)N2C=NC=N2
3-Thien-3-ylaniline, ≥97%, Thermo Scientific™
CAS: 161886-96-0 Molecular Formula: C10H9NS Molecular Weight (g/mol): 175.25 MDL Number: MFCD06740169 InChI Key: SHUODWYRFVFGOA-UHFFFAOYSA-N Synonym: 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl PubChem CID: 4130337 SMILES: NC1=CC=CC(=C1)C1=CSC=C1
Pyrimidine, 99%
CAS: 289-95-2 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1
1-Benzothiophen-2-ylmethylamine, 95%, Thermo Scientific™
CAS: 6314-43-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.238 MDL Number: MFCD00965305 InChI Key: WKYFWFHTABURGB-UHFFFAOYSA-N Synonym: benzo b thiophen-2-ylmethanamine,1-benzothiophen-2-ylmethylamine,benzo b thiophene-2-methanamine,c-benzo b thiophen-2-yl-methylamine,benzo b thiophen-2-ylmethylamine,2-aminomethyl benzo b thiophene,1-benzothiophene-2-yl methylamine,1-1-benzothiophen-2-yl methanamine,benzo b thiophene-2-methylamine PubChem CID: 237074 IUPAC Name: 1-benzothiophen-2-ylmethanamine SMILES: C1=CC=C2C(=C1)C=C(S2)CN
Ethyl 2-aminothiazole-5-carboxylate, 97%
CAS: 32955-21-8 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00602139 InChI Key: VNZXERIGKZNEKB-UHFFFAOYSA-N Synonym: ethyl 2-aminothiazole-5-carboxylate,ethyl 2-amino-thiazole-5-carboxylate,2-amino-thiazole-5-carboxylic acid ethyl ester,ethyl2-aminothiazole-5-carboxylate,2-amino-thiazole-5-carboxylate ethyl ester,2-aminothiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-5-thiazolecarboxylic acid ethyl ester,ethyl-2-amino thiazole-5-carboxylate,zlchem 456 PubChem CID: 314628 IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=CN=C(S1)N
5-Bromo-2,4-diphenyl-1,3-thiazole, ≥97%, Thermo Scientific™
CAS: 35342-50-8 Molecular Formula: C15H10BrNS Molecular Weight (g/mol): 316.22 MDL Number: MFCD08060523 InChI Key: KKDPGKYZSJFNLZ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-diphenylthiazole,thiazole,5-bromo-2,4-diphenyl,thiazole, 5-bromo-2,4-diphenyl PubChem CID: 7537557 IUPAC Name: 5-bromo-2,4-diphenyl-1,3-thiazole SMILES: BrC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
2-Amino-4-(4-biphenylyl)thiazole, 97%
CAS: 2834-79-9 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 MDL Number: MFCD00047059 InChI Key: HTAUVJPDFDVVHV-UHFFFAOYSA-N Synonym: 2-amino-4-4-biphenylyl thiazole,4-biphenyl-4-yl-thiazol-2-ylamine,4-4-phenylphenyl-1,3-thiazol-2-amine,usaf ek-4373,thiazole, 2-amino-4-4-biphenylyl,unii-39u8aa34ot,4-1,1'-biphenyl-4-yl-1,3-thiazol-2-amine,4-1,1'-biphenyl-4-yl thiazol-2-amine,2-amino-4-4-biphenyl thiazole,4-biphenyl-4-ylthiazol-2-ylamine PubChem CID: 76075 IUPAC Name: 4-(4-phenylphenyl)-1,3-thiazol-2-amine SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N