Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887245
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cccc(c1C)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 C26H23Cl2N3O3S MW 528.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Cl2N3O3S/c1-4-12-34-26(33)23-16(3)30-25(18(13-29)24(23)17-8-5-6-9-20(17)28)35-14-22(32)31-21-11-7-10-19(27)15(21)2/h4-11,24,30H,1,12,14H2,2-3H3,(H,31,32)InChIKey
HWXLTPHMTASQCP-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3Cl)C#N
InChI=1SC26H23Cl2N3O3Sc14123426(33)2316(3)3025(18(1329)24(23)17856920(17)28)351422(32)31211171019(27)15(21)2h4112430H11214H223H3(H3132)
MFCD10088091
prop2en1yl6((2((3chloro2methylphenyl)amino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
prop2enyl6(2(3chloro2methylanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000101273337
ZINC000101273338
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