Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826599
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cccc(c1)Cl
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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 C25H21Cl2N3O3S MW 514.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O3S/c1-3-11-33-25(32)22-15(2)29-24(19(13-28)23(22)18-9-4-5-10-20(18)27)34-14-21(31)30-17-8-6-7-16(26)12-17/h3-10,12,23,29H,1,11,14H2,2H3,(H,30,31)InChIKey
ZCJOORRDLJOJBH-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC25H21Cl2N3O3Sc13113325(32)2215(2)2924(19(1328)23(22)189451020(18)27)341421(31)301786716(26)1217h310122329H11114H22H3(H3031)
MFCD10086567
prop2en1yl4(2chlorophenyl)6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
prop2enyl6(2(3chloroanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000020347824
ZINC000020347825
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