Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826601
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)c1ccc(cc1)OC
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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 C26H23ClN2O4S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4S/c1-4-13-33-26(31)23-16(2)29-25(20(14-28)24(23)19-7-5-6-8-21(19)27)34-15-22(30)17-9-11-18(32-3)12-10-17/h4-12,24,29H,1,13,15H2,2-3H3InChIKey
IZGROZNUZPISII-UHFFFAOYSA-NSynonyms
796878-86-9796878869
allyl4(2chlorophenyl)5cyano6((2(4methoxyphenyl)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC26H23ClN2O4Sc14133326(31)2316(2)2925(20(1428)24(23)19756821(19)27)341522(30)1791118(323)121017h4122429H11315H223H3
MFCD03669724
prop2en1yl4(2chlorophenyl)5cyano6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(2CHLOROPHENYL)5CYANO6(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020150266
ZINC000020150267
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