Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887241
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1
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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/c1-3-13-32-25(31)22-16(2)28-24(33-15-21(30)29-17-9-5-4-6-10-17)19(14-27)23(22)18-11-7-8-12-20(18)26/h3-12,23,28H,1,13,15H2,2H3,(H,29,30)InChIKey
BDXQTOOPWJNYLL-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC25H22ClN3O3Sc13133225(31)2216(2)2824(331521(30)291795461017)19(1427)23(22)1811781220(18)26h3122328H11315H22H3(H2930)
MFCD10088086
prop2en1yl4(2chlorophenyl)5cyano2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl6(2anilino2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000020348453
ZINC000020348455
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