Vitas-M small molecule compound
6-({2-[(4-butylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826581
SMILES CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1F)c1ccco1
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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 C30H29FN4O3S MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN4O3S/c1-3-4-8-20-12-14-21(15-13-20)34-26(36)18-39-30-22(17-32)28(25-11-7-16-38-25)27(19(2)33-30)29(37)35-24-10-6-5-9-23(24)31/h5-7,9-16,28,33H,3-4,8,18H2,1-2H3,(H,34,36)(H,35,37)InChIKey
YFNXRKKBQMUTDI-UHFFFAOYSA-NSynonyms
6((2((4butylphenyl)amino)2oxoethyl)sulfanyl)5cyanoN(2fluorophenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2(4butylanilino)2oxoethyl)sulfanyl5cyanoN(2fluorophenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3F)C4=CC=CO4)C#N
InChI=1SC30H29FN4O3Sc134820121421(151320)3426(36)18393022(1732)28(25117163825)27(19(2)3330)29(37)35241065923(24)31h579162833H34818H212H3(H3436)(H3537)
MFCD10086538
ZINC000102807235
ZINC000102807238
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