Vitas-M small molecule compound
prop-2-en-1-yl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827585
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)NCc1ccccc1
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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 C26H24ClN3O3S MW 494.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3S/c1-3-13-33-26(32)23-17(2)30-25(20(14-28)24(23)19-11-7-8-12-21(19)27)34-16-22(31)29-15-18-9-5-4-6-10-18/h3-12,24,30H,1,13,15-16H2,2H3,(H,29,31)InChIKey
MMDZKTZZGSISCY-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC26H24ClN3O3Sc13133326(32)2317(2)3025(20(1428)24(23)1911781221(19)27)341622(31)29151895461018h3122430H1131516H22H3(H2931)
MFCD10088093
prop2en1yl6((2(benzylamino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
prop2enyl6(2(benzylamino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000020348468
ZINC000020348470
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