Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826597
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-3-12-32-25(31)22-16(2)28-24(20(14-27)23(22)17-8-5-4-6-9-17)33-15-21(30)29-19-11-7-10-18(26)13-19/h3-11,13,23,28H,1,12,15H2,2H3,(H,29,30)InChIKey
KMVZJRPMKPMLAC-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC25H22ClN3O3Sc13123225(31)2216(2)2824(20(1427)23(22)178546917)331521(30)29191171018(26)1319h311132328H11215H22H3(H2930)
MFCD10086565
prop2en1yl6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl6(2(3chloroanilino)2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020347820
ZINC000020347822
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