Vitas-M small molecule compound
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826628
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)[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(18-5-3-4-6-20(18)26)19(13-27)24(28-15)37-14-21(31)29-16-7-9-17(10-8-16)30(33)34/h3-10,23,28H,11-12,14H2,1-2H3,(H,29,31)InChIKey
BQTFGZJHOCQJCL-UHFFFAOYSA-NSynonyms
2methoxyethyl4(2chlorophenyl)5cyano2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
2methoxyethyl4(2chlorophenyl)5cyano2methyl6(2(4nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC=CC=C3Cl)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H23ClN4O6Sc11522(25(32)361211352)23(18534620(18)26)19(1327)24(2815)371421(31)29167917(10816)30(33)34h3102328H111214H212H3(H2931)
MFCD10086599
ZINC000102808211
ZINC000102808213
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Check stock on Vitas-MAvailable files
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