Organoheterocyclic compounds
2,4-Dibromopyridine, 97%
CAS: 58530-53-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD01859720 InChI Key: PCMMSLVJMKQWMQ-UHFFFAOYSA-N Synonym: 2,4-dibromo-pyridine,pyridine, 2,4-dibromo,2,4-dibrompyridin,pubchem5452,acmc-1av5w,2,4-dibromopyridine,ksc493e4t PubChem CID: 817104 IUPAC Name: 2,4-dibromopyridine SMILES: BrC1=CC=NC(Br)=C1
5-Amino-1-methyl-1H-pyrazole, 97%
CAS: 1192-21-8 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine PubChem CID: 136927 IUPAC Name: 2-methylpyrazol-3-amine SMILES: CN1C(=CC=N1)N
Caffeine, citrated
CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
1-Ethylpyridinium bromide, 99%
CAS: 1906-79-2 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00041999 InChI Key: ABFDKXBSQCTIKH-UHFFFAOYSA-M Synonym: 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide PubChem CID: 15927 IUPAC Name: 1-ethylpyridin-1-ium;bromide SMILES: CC[N+]1=CC=CC=C1.[Br-]
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine, 97%
CAS: 1513-69-5 Molecular Formula: C5H4F3N3O Molecular Weight (g/mol): 179.102 MDL Number: MFCD00068093 InChI Key: ZEPSVMLZBXDPGU-UHFFFAOYSA-N Synonym: 2-amino-4-hydroxy-6-trifluoromethyl pyrimidine,2-amino-6-trifluoromethyl pyrimidin-4-ol,2-amino-6-trifluoromethyl-pyrimidin-4-ol,2-amino-6-trifluoromethyl-1h-pyrimidin-4-one,2-amino-4-hydroxy-6-trifluoromethylpyrimidine,2-amino-4-hydroxy-6-trifluoromethyl-pyrimidine,4 1h-pyrimidinone, 2-amino-6-trifluoromethyl,pubchem6976,acmc-1bvtd,maybridge1_007193 PubChem CID: 233891 IUPAC Name: 2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)C(F)(F)F
Iminostilbene, 97%
CAS: 256-96-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00005071 InChI Key: LCGTWRLJTMHIQZ-UHFFFAOYSA-N Synonym: iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino PubChem CID: 9212 ChEBI: CHEBI:47802 IUPAC Name: 11H-benzo[b][1]benzazepine SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
Piperonylic acid, 98+%
CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid PubChem CID: 7196 IUPAC Name: 1,3-benzodioxole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OCOC2=C1
N-Carbamoylmaleimide, tech. 90%
CAS: 3345-50-4 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.098 MDL Number: MFCD00014539 InChI Key: BNPFHEFZJPVCCE-UHFFFAOYSA-N Synonym: n-carbamoylmaleimide,n-carbamylmaleimide,2,5-dioxo-3-pyrroline-1-carboxamide,2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide,n-carbamoylmaleiimide,3-pyrrolinecarboxamide, 2,5-dioxo,3-pyrroline-2,5-dione, 1-carbamoyl,1h-pyrrole-1-carboxamide, 2,5-dihydro-2,5-dioxo-9ci,2,5-dihydro-2,5-dioxo-1h-pyrrole-1-carboxamide,2,5-dioxoazolinecarboxamide PubChem CID: 76868 IUPAC Name: 2,5-dioxopyrrole-1-carboxamide SMILES: C1=CC(=O)N(C1=O)C(=O)N
4-(3-Phenylpropyl)pyridine, 98%
CAS: 2057-49-0 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.281 MDL Number: MFCD00047458 InChI Key: AQIIVEISJBBUCR-UHFFFAOYSA-N Synonym: 4-3-phenylpropyl pyridine,pyridine, 4-3-phenylpropyl,1-phenyl-3-4-pyridyl propane,unii-yw9q68ek6b,4-phenylpropylpyridine,yw9q68ek6b,1-4-pyridyl-3-phenylpropane,acmc-1ccts,dsstox_cid_24869,dsstox_rid_80544 PubChem CID: 74937 IUPAC Name: 4-(3-phenylpropyl)pyridine SMILES: C1=CC=C(C=C1)CCCC2=CC=NC=C2
Ethyl 2-amino-4-methylthiazole-5-carboxylate, 97%
CAS: 7210-76-6 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00123414 InChI Key: WZHUPCREDVWLKC-UHFFFAOYSA-N PubChem CID: 343747 IUPAC Name: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=C(C)N=C(N)S1
Ethyl 3-(2-furyl)propionate, 98%
CAS: 10031-90-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00036496 InChI Key: OWIWZQQFSTZZIG-UHFFFAOYSA-N Synonym: ethyl 3-2-furyl propionate,ethyl 2-furanpropionate,2-furanpropanoic acid, ethyl ester,ethyl 3-2-furyl propanoate,ethyl furfhydracrylate,ethyl furfurylacetate,ethyl 3-furan-2-yl propanoate,2-furanpropionic acid, ethyl ester,ethyl 2-furanpropanoate,ethyl furan-2-propionate PubChem CID: 61450 IUPAC Name: ethyl 3-(furan-2-yl)propanoate SMILES: CCOC(=O)CCC1=CC=CO1
5-Mercapto-1-methyltetrazole, 98%
CAS: 13183-79-4 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00037317 InChI Key: XOHZHMUQBFJTNH-UHFFFAOYSA-N Synonym: 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl PubChem CID: 2723772 IUPAC Name: 1-methyl-2H-tetrazole-5-thione SMILES: CN1NN=NC1=S
cis-4-Cyclohexene-1,2-dicarboxylic anhydride, 95%
CAS: 935-79-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005916 InChI Key: KMOUUZVZFBCRAM-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione PubChem CID: 98495 IUPAC Name: (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione SMILES: C1C=CCC2C1C(=O)OC2=O
(R)-(+)-Styrene oxide, 98%
CAS: 20780-53-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00066210 InChI Key: AWMVMTVKBNGEAK-QMMMGPOBSA-N Synonym: r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r PubChem CID: 114705 ChEBI: CHEBI:45389 IUPAC Name: (2R)-2-phenyloxirane SMILES: C1O[C@@H]1C1=CC=CC=C1
5-Methylbenzimidazole, 98%
CAS: 614-97-1 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00010740 InChI Key: RWXZXCZBMQPOBF-UHFFFAOYSA-N Synonym: 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb PubChem CID: 11979 ChEBI: CHEBI:40205 IUPAC Name: 6-methyl-1H-benzimidazole SMILES: CC1=CC2=C(C=C1)N=CN2