Vitas-M small molecule compound
benzyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK844189
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-18-24(27(32)34-16-19-9-4-2-5-10-19)25(22-13-8-14-33-22)21(15-28)26(29-18)35-17-23(31)30-20-11-6-3-7-12-20/h2,4-5,8-10,13-14,20,25,29H,3,6-7,11-12,16-17H2,1H3,(H,30,31)InChIKey
GHFQGYOBVPMVCS-UHFFFAOYSA-NSynonyms
693228-76-1693228761
benzyl5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
benzyl5cyano6((2(cyclohexylamino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC27H29N3O4Sc11824(27(32)34161994251019)25(22138143322)21(1528)26(2918)351723(31)3020116371220h2458101314202529H36711121617H21H3(H3031)
MFCD03670909
ZINC000020170535
ZINC000020170538
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