Vitas-M small molecule compound
5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887343
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C1C(=O)Nc1ccccc1)C)C#N
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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 C30H27N5O5S MW 569.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O5S/c1-3-40-25-12-8-7-11-23(25)28-24(17-31)30(32-19(2)27(28)29(37)34-20-9-5-4-6-10-20)41-18-26(36)33-21-13-15-22(16-14-21)35(38)39/h4-16,28,32H,3,18H2,1-2H3,(H,33,36)(H,34,37)InChIKey
XJZJXUBELRMVDI-UHFFFAOYSA-NSynonyms
5cyano4(2ethoxyphenyl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)Nphenyl14dihydropyridine3carboxamide
5cyano4(2ethoxyphenyl)2methyl6(2(4nitroanilino)2oxoethyl)sulfanylNphenyl14dihydropyridine3carboxamide
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O))C#N
CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))NC(=C1C(=O)Nc1ccccc1)C)C#N
InChI=1SC30H27N5O5Sc13402512871123(25)2824(1731)30(3219(2)27(28)29(37)342095461020)411826(36)3321131522(161421)35(38)39h4162832H318H212H3(H3336)(H3437)
MFCD03723869
ZINC000102809860
ZINC000102809862
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