Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887279
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)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 C25H21ClN4O5S MW 524.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O5S/c1-3-12-35-25(32)22-15(2)28-24(20(13-27)23(22)16-4-6-17(26)7-5-16)36-14-21(31)29-18-8-10-19(11-9-18)30(33)34/h3-11,23,28H,1,12,14H2,2H3,(H,29,31)InChIKey
GKUKTGHVKUNIAD-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC25H21ClN4O5Sc13123525(32)2215(2)2824(20(1327)23(22)164617(26)7516)361421(31)291881019(11918)30(33)34h3112328H11214H22H3(H2931)
MFCD10088137
prop2en1yl4(4chlorophenyl)5cyano2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl4(4chlorophenyl)5cyano2methyl6(2(4nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000101273236
ZINC000101273239
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