Vitas-M small molecule compound
ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827309
SMILES CCOC(=O)CSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccs1
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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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c1-3-28-18(26)14-31-22-16(13-24)19(17-11-8-12-30-17)20(23(27)29-4-2)21(25-22)15-9-6-5-7-10-15/h5-12,19,25H,3-4,14H2,1-2H3InChIKey
YEHRWNFILDIETB-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CS3)C#N
ethyl5cyano6((2ethoxy2oxoethyl)sulfanyl)2phenyl4(thiophen2yl)14dihydropyridine3carboxylate
ethyl5cyano6(2ethoxy2oxoethyl)sulfanyl2phenyl4thiophen2yl14dihydropyridine3carboxylate
InChI=1SC23H22N2O4S2c132818(26)14312216(1324)19(17118123017)20(23(27)2942)21(2522)1596571015h5121925H3414H212H3
MFCD10087592
ZINC000020348252
ZINC000020348254
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