Vitas-M small molecule compound
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886354
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1[N+](=O)[O-]
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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 C25H23ClN4O6S MW 543.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O6S/c1-15-22(25(32)36-12-11-35-2)23(16-7-9-17(26)10-8-16)18(13-27)24(28-15)37-14-21(31)29-19-5-3-4-6-20(19)30(33)34/h3-10,23,28H,11-12,14H2,1-2H3,(H,29,31)InChIKey
NAAAQGVCDZUHPX-UHFFFAOYSA-NSynonyms
2methoxyethyl4(4chlorophenyl)5cyano2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
2methoxyethyl4(4chlorophenyl)5cyano2methyl6(2(2nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O)
InChI=1SC25H23ClN4O6Sc11522(25(32)361211352)23(167917(26)10816)18(1327)24(2815)371421(31)2919534620(19)30(33)34h3102328H111214H212H3(H2931)
MFCD10086833
ZINC000102808923
ZINC000102808925
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