Vitas-M small molecule compound
methyl {(5E)-5-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Catalog ID
STK152256
SMILES COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OCc2ccccc2)/C1=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 C21H18N2O8S MW 458.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O8S/c1-29-16-8-14(9-18-20(25)22(21(26)32-18)11-19(24)30-2)15(23(27)28)10-17(16)31-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3/b18-9+InChIKey
AGKDWIAJZIKZCT-GIJQJNRQSA-NSynonyms
COC(=O)CN1C(=O)SC(=Cc2cc(OC)c(cc2(N+)(=O)(O))OCc2ccccc2)C1=O
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)(N+)(=O)(O))OCC3=CC=CC=C3
InChI=1SC21H18N2O8Sc12916814(91820(25)22(21(26)3218)1119(24)302)15(23(27)28)1017(16)3112136435713h310H1112H212H3b189+
METHYL((5E)5(4(BENZYLOXY)5METHOXY2NITROBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((5METHOXY2NITRO4PHENYLMETHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03713864
ZINC000002813366
ZINC02813366
ZINC2813366
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