Vitas-M small molecule compound
ethyl 4-({[5-cyano-4-(furan-2-yl)-6-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886342
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1OC
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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 C30H28N4O6S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O6S/c1-4-39-30(37)19-11-13-20(14-12-19)33-28(36)26-18(2)32-29(21(16-31)27(26)24-10-7-15-40-24)41-17-25(35)34-22-8-5-6-9-23(22)38-3/h5-15,27,32H,4,17H2,1-3H3,(H,33,36)(H,34,35)InChIKey
AVMZIYHBCKGSNG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=CC=CC=C4OC)C
ethyl4(((5cyano4(furan2yl)6((2((2methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano4(furan2yl)6(2(2methoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC30H28N4O6Sc143930(37)19111320(141219)3328(36)2618(2)3229(21(1631)27(26)24107154024)411725(35)3422856923(22)383h5152732H417H213H3(H3336)(H3435)
MFCD10086816
ZINC000102513504
ZINC000102513508
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