Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-6-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826385
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1Cl
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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/c1-3-12-33-25(32)22-15(2)29-24(18(13-28)23(22)16-8-10-17(26)11-9-16)34-14-21(31)30-20-7-5-4-6-19(20)27/h3-11,23,29H,1,12,14H2,2H3,(H,30,31)InChIKey
FSFZNQPUYRQUGE-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC25H21Cl2N3O3Sc13123325(32)2215(2)2924(18(1328)23(22)1681017(26)11916)341421(31)3020754619(20)27h3112329H11214H22H3(H3031)
MFCD10086271
prop2en1yl4(4chlorophenyl)6((2((2chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
prop2enyl6(2(2chloroanilino)2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000020347556
ZINC000020347558
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