Vitas-M small molecule compound
2-bromo-4-{(E)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl acetate
Catalog ID
STK317996
SMILES CC(=O)Oc1ccc(cc1Br)/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 C19H13BrN2O6S MW 477.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrN2O6S/c1-11(23)28-16-7-4-13(8-15(16)20)9-17-18(24)21(19(25)29-17)10-12-2-5-14(6-3-12)22(26)27/h2-9H,10H2,1H3/b17-9+InChIKey
XOESVFABMPZRSJ-RQZCQDPDSA-NSynonyms
(2bromo4((E)(3((4nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenyl)acetate
2bromo4((E)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O))Br
CC(=O)Oc1ccc(cc1Br)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H13BrN2O6Sc111(23)28167413(815(16)20)91718(24)21(19(25)2917)10122514(6312)22(26)27h29H10H21H3b179+
MFCD09961407
ZINC000012344337
ZINC12344337
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