Vitas-M small molecule compound
ethyl 2-{(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Catalog ID
STK178113
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2cc3OCOc3cc2Br)/C1=O)C
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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 C16H14BrNO6S MW 428.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrNO6S/c1-3-22-15(20)8(2)18-14(19)13(25-16(18)21)5-9-4-11-12(6-10(9)17)24-7-23-11/h4-6,8H,3,7H2,1-2H3/b13-5-InChIKey
GSKXYHVOCXCCKV-ACAGNQJTSA-NSynonyms
CCOC(=O)C(C)N1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2cc3OCOc3cc2Br)C1=O)C
ETHYL2((5Z)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
InChI=1SC16H14BrNO6Sc132215(20)8(2)1814(19)13(2516(18)21)5941112(610(9)17)2472311h468H37H212H3b135
MFCD03698751
ZINC000009892617
ZINC000009892618
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