Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK844322
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)N(CC)CC)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 C27H28ClN3O3S MW 510.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S/c1-4-31(5-2)22(32)17-35-26-20(16-29)23(19-14-10-11-15-21(19)28)24(27(33)34-6-3)25(30-26)18-12-8-7-9-13-18/h7-15,23,30H,4-6,17H2,1-3H3InChIKey
LPBIDTXPVSNZMP-UHFFFAOYSA-NSynonyms
687591-81-7687591817
CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3Cl)C#N
ethyl4(2chlorophenyl)5cyano6((2(diethylamino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6((2(diethylamino)2oxoethyl)thio)2phenyl14dihydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO6(2(DIETHYLAMINO)2OXOETHYL)SULFANYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC27H28ClN3O3Sc1431(52)22(32)17352620(1629)23(191410111521(19)28)24(27(33)3463)25(3026)18128791318h7152330H4617H213H3
MFCD03670859
ZINC000002202816
ZINC000002202818
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