Vitas-M small molecule compound
4-{(E)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl acetate
Catalog ID
STL358236
SMILES CC(=O)Oc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]
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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 C19H14N2O6S MW 398.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O6S/c1-12(22)27-16-8-4-13(5-9-16)10-17-18(23)20(19(24)28-17)11-14-2-6-15(7-3-14)21(25)26/h2-10H,11H2,1H3/b17-10+InChIKey
ALZSDGNGYONRPB-LICLKQGHSA-NSynonyms
(4((E)(3((4nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenyl)acetate
4((E)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H14N2O6Sc112(22)27168413(5916)101718(23)20(19(24)2817)11142615(7314)21(25)26h210H11H21H3b1710+
MFCD03905979
ZINC000006692741
ZINC06692741
ZINC6692741
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