Vitas-M small molecule compound

methyl [(5E)-5-(5-bromo-2,4-diethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Catalog ID
STK152321
SMILES CCOc1cc(OCC)c(cc1/C=C\1/SC(=O)N(C1=O)CC(=O)OC)Br

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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 C17H18BrNO6S MW 444.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO6S/c1-4-24-12-8-13(25-5-2)11(18)6-10(12)7-14-16(21)19(17(22)26-14)9-15(20)23-3/h6-8H,4-5,9H2,1-3H3/b14-7+
InChIKey
VBMYNDGYCRURHI-VGOFMYFVSA-N
Synonyms

CCOC1=CC(=C(C=C1C=C2C(=O)N(C(=O)S2)CC(=O)OC)Br)OCC
CCOc1cc(OCC)c(cc1C=C1SC(=O)N(C1=O)CC(=O)OC)Br
InChI=1SC17H18BrNO6Sc142412813(2552)11(18)610(12)71416(21)19(17(22)2614)915(20)233h68H459H213H3b147+
METHYL((5E)5(5BROMO24DIETHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((5BROMO24DIETHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03273197
ZINC000001142698
ZINC01142698
ZINC1142698

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.