Vitas-M small molecule compound
ethyl 4-{[(2E,5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Catalog ID
STL368970
SMILES CCOC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-26-20(25)14-5-7-15(8-6-14)22-21-23(2)19(24)18(29-21)11-13-4-9-16-17(10-13)28-12-27-16/h4-11H,3,12H2,1-2H3/b18-11-,22-21+InChIKey
MUMVQAYUEDPCRS-CXSMVCKMSA-NSynonyms
CCOC(=O)c1ccc(cc1)N=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1C
ethyl4(((2E5Z)5(13benzodioxol5ylmethylidene)3methyl4oxo13thiazolidin2ylidene)amino)benzoate
MFCD03082397
ZINC000001011665
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