Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827621
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)Cl
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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 C25H20Cl3N3O3S MW 548.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl3N3O3S/c1-3-10-34-25(33)22-14(2)30-24(18(12-29)23(22)15-4-6-16(26)7-5-15)35-13-21(32)31-17-8-9-19(27)20(28)11-17/h3-9,11,23,30H,1,10,13H2,2H3,(H,31,32)InChIKey
QWASHHXJHRUNBC-UHFFFAOYSA-NSynonyms
ALLYL4(4CHLOROPHENYL)5CYANO6((2(34DICHLOROANILINO)2OXOETHYL)SULFANYL)2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC25H20Cl3N3O3Sc13103425(33)2214(2)3024(18(1229)23(22)154616(26)7515)351321(32)31178919(27)20(28)1117h39112330H11013H22H3(H3132)
MFCD03783639
prop2en1yl4(4chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO6(2(34DICHLOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098043574
ZINC000098043575
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