Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826619
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1
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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 C29H23ClN4O5S MW 575.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O5S/c1-2-39-29(36)26-25(19-12-6-7-13-21(19)30)20(16-31)28(33-27(26)18-10-4-3-5-11-18)40-17-24(35)32-22-14-8-9-15-23(22)34(37)38/h3-15,25,33H,2,17H2,1H3,(H,32,35)InChIKey
RCNWXVJOKMGAGI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O))c1ccccc1
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=CC=C3(N+)(=O)(O))C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(2nitroanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H23ClN4O5Sc123929(36)2625(1912671321(19)30)20(1631)28(3327(26)18104351118)401724(35)322214891523(22)34(37)38h3152533H217H21H3(H3235)
MFCD10086587
ZINC000102808282
ZINC000102808284
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