Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826588
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)[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(21-10-6-7-11-23(21)30)22(16-31)28(33-27(26)18-8-4-3-5-9-18)40-17-24(35)32-19-12-14-20(15-13-19)34(37)38/h3-15,25,33H,2,17H2,1H3,(H,32,35)InChIKey
VGVLMJJRJHASMI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O))c1ccccc1
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(4nitroanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H23ClN4O5Sc123929(36)2625(2110671123(21)30)22(1631)28(3327(26)188435918)401724(35)3219121420(151319)34(37)38h3152533H217H21H3(H3235)
MFCD10086546
ZINC000102807733
ZINC000102807736
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