Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK885880
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OC)c1ccccc1F
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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 C24H22FN3O4S MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN3O4S/c1-14-21(24(30)32-3)22(17-6-4-5-7-19(17)25)18(12-26)23(27-14)33-13-20(29)28-15-8-10-16(31-2)11-9-15/h4-11,22,27H,13H2,1-3H3,(H,28,29)InChIKey
PPYMYTVFCVDCHN-UHFFFAOYSA-NSynonyms
701226-67-7701226677
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CC=C3F)C(=O)OC
InChI=1SC24H22FN3O4Sc11421(24(30)323)22(17645719(17)25)18(1226)23(2714)331320(29)281581016(312)11915h4112227H13H213H3(H2829)
methyl5cyano4(2fluorophenyl)6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO4(2FLUOROPHENYL)6((2((4METHOXYPHENYL)AMINO)2OXOETHYL)THIO)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
METHYL5CYANO4(2FLUOROPHENYL)6(2(4METHOXYANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD04218659
ZINC000001113318
ZINC000001113323
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