Vitas-M small molecule compound
methyl 2-{[({3-cyano-4-(furan-2-yl)-6-methyl-5-[(3-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK886183
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccco1)C(=O)Nc1cccc(c1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H26N4O5S MW 542.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O5S/c1-17-8-6-9-19(14-17)32-27(35)25-18(2)31-28(21(15-30)26(25)23-12-7-13-38-23)39-16-24(34)33-22-11-5-4-10-20(22)29(36)37-3/h4-14,26,31H,16H2,1-3H3,(H,32,35)(H,33,34)InChIKey
TVEVUSTYTMOZMD-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=CC=CC=C4C(=O)OC)C
InChI=1SC29H26N4O5Sc11786919(1417)3227(35)2518(2)3128(21(1530)26(25)23127133823)391624(34)332211541020(22)29(36)373h4142631H16H213H3(H3235)(H3334)
methyl2((((3cyano4(furan2yl)6methyl5((3methylphenyl)carbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((3cyano4(furan2yl)6methyl5((3methylphenyl)carbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
MFCD10086650
ZINC000102760681
ZINC000102760682
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