Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-oxo-2-(propan-2-yloxy)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886233
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)OC(C)C)c1ccccc1
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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 C26H25ClN2O4S MW 497.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O4S/c1-4-32-26(31)23-22(18-12-8-9-13-20(18)27)19(14-28)25(34-15-21(30)33-16(2)3)29-24(23)17-10-6-5-7-11-17/h5-13,16,22,29H,4,15H2,1-3H3InChIKey
UXRLSWGMABSFPV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)OC(C)C)C3=CC=CC=C3
ethyl4(2chlorophenyl)5cyano6((2oxo2(propan2yloxy)ethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO6(2OXO2PROPAN2YLOXYETHYL)SULFANYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H25ClN2O4Sc143226(31)2322(1812891320(18)27)19(1428)25(341521(30)3316(2)3)2924(23)17106571117h513162229H415H213H3
MFCD05033562
ZINC000020136722
ZINC000020136725
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