Vitas-M small molecule compound
methyl 2-({[6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886335
SMILES N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C(=O)OC)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 C29H25ClN4O6S MW 593.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O6S/c1-16-25(27(36)34-20-8-5-4-7-18(20)29(37)39-3)26(23-9-6-12-40-23)19(14-31)28(32-16)41-15-24(35)33-21-13-17(30)10-11-22(21)38-2/h4-13,26,32H,15H2,1-3H3,(H,33,35)(H,34,36)InChIKey
YIYXKDOPFHHGFJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC29H25ClN4O6Sc11625(27(36)3420854718(20)29(37)393)26(2396124023)19(1431)28(3216)411524(35)33211317(30)101122(21)382h4132632H15H213H3(H3335)(H3436)
methyl2(((6((2((5chloro2methoxyphenyl)amino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
methyl2((6(2(5chloro2methoxyanilino)2oxoethyl)sulfanyl5cyano4(furan2yl)2methyl14dihydropyridine3carbonyl)amino)benzoate
MFCD10086804
ZINC000102513103
ZINC000102513110
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