Vitas-M small molecule compound
ethyl (2E)-cyano[(5E)-5-(4-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoate
Catalog ID
STL447792
SMILES CCOC(=O)/C(=c\1/s/c(=C/c2ccc(cc2)OC)/c(=O)n1c1ccccc1)/C#N
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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 C22H18N2O4S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S/c1-3-28-22(26)18(14-23)21-24(16-7-5-4-6-8-16)20(25)19(29-21)13-15-9-11-17(27-2)12-10-15/h4-13H,3H2,1-2H3/b19-13+,21-18+InChIKey
DFFMDPVIOWTULE-KXWPEJOVSA-NSynonyms
CCOC(=O)C(=C1N(C(=O)C(=CC2=CC=C(C=C2)OC)S1)C3=CC=CC=C3)C#N
CCOC(=O)C(=c1sc(=Cc2ccc(cc2)OC)c(=O)n1c1ccccc1)C#N
ETHYL(2E)2CYANO2((5E)5((4METHOXYPHENYL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETATE
ethyl(2E)cyano((5E)5(4methoxybenzylidene)4oxo3phenyl13thiazolidin2ylidene)ethanoate
InChI=1SC22H18N2O4Sc132822(26)18(1423)2124(167546816)20(25)19(2921)131591117(272)121015h413H3H212H3b1913+2118+
MFCD06242218
ZINC000005244447
ZINC5244447
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