Vitas-M small molecule compound

5-cyano-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK827642
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1OC)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 C29H24FN5O5S MW 573.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN5O5S/c1-17-26(28(37)34-23-9-5-6-10-24(23)40-2)27(20-7-3-4-8-22(20)30)21(15-31)29(32-17)41-16-25(36)33-18-11-13-19(14-12-18)35(38)39/h3-14,27,32H,16H2,1-2H3,(H,33,36)(H,34,37)
InChIKey
TVVUUQGNOFSBHO-UHFFFAOYSA-N
Synonyms

5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxamide
5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl6(2(4nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4OC
InChI=1SC29H24FN5O5Sc11726(28(37)34239561024(23)402)27(20734822(20)30)21(1531)29(3217)411625(36)3318111319(141218)35(38)39h3142732H16H212H3(H3336)(H3437)
MFCD10088165
N#CC1=C(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1OC)C
ZINC000102809934
ZINC000102809938

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Available files

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