Vitas-M small molecule compound
ethyl 4-{3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STL320617
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=S)N=C1O
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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 C19H18N2O3S2 MW 386.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S2/c1-4-24-18(23)13-5-7-15(8-6-13)21-11(2)9-14(12(21)3)10-16-17(22)20-19(25)26-16/h5-10H,4H2,1-3H3,(H,20,22,25)/b16-10-InChIKey
MZCRRZKRFBYGSA-YBEGLDIGSA-NSynonyms
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=S)N=C1O
ETHYL4(25DIMETHYL3((Z)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
ethyl4(3((Z)(4hydroxy2thioxo13thiazol5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
InChI=1SC19H18N2O3S2c142418(23)135715(8613)2111(2)914(12(21)3)101617(22)2019(25)2616h510H4H213H3(H202225)b1610
MFCD28029596
ZINC000001205554
ZINC01205554
ZINC1205554
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