Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827616
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)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 C25H28ClN3O3S MW 486.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O3S/c1-3-13-32-25(31)22-16(2)28-24(33-15-21(30)29-19-7-5-4-6-8-19)20(14-27)23(22)17-9-11-18(26)12-10-17/h3,9-12,19,23,28H,1,4-8,13,15H2,2H3,(H,29,30)InChIKey
KFMVXBDBEKSKQG-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC25H28ClN3O3Sc13133225(31)2216(2)2824(331521(30)29197546819)20(1427)23(22)1791118(26)121017h3912192328H1481315H22H3(H2930)
MFCD10088136
prop2en1yl4(4chlorophenyl)5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
prop2enyl4(4chlorophenyl)5cyano6(2(cyclohexylamino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
ZINC000020348546
ZINC000020348547
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