Vitas-M small molecule compound

N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-{(Z)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

Catalog ID
STL375797
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccc(cc2)[N+](=O)[O-])cc(c1OCC(=O)Nc1cc(C)c(cc1Br)C)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 C29H25Br2N3O7S MW 719.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25Br2N3O7S/c1-4-40-24-12-19(11-22(31)27(24)41-15-26(35)32-23-10-17(3)16(2)9-21(23)30)13-25-28(36)33(29(37)42-25)14-18-5-7-20(8-6-18)34(38)39/h5-13H,4,14-15H2,1-3H3,(H,32,35)/b25-13-
InChIKey
HFSRWRUBNJFJBT-MXAYSNPKSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O))Br)OCC(=O)NC4=C(C=C(C(=C4)C)C)Br
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2ccc(cc2)(N+)(=O)(O))cc(c1OCC(=O)Nc1cc(C)c(cc1Br)C)Br
InChI=1SC29H25Br2N3O7Sc1440241219(1122(31)27(24)411526(35)32231017(3)16(2)921(23)30)132528(36)33(29(37)4225)14185720(8618)34(38)39h513H41415H213H3(H3235)b2513
MFCD04308330
N(2BROMO45DIMETHYLPHENYL)2(2BROMO6ETHOXY4((Z)(3((4NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETAMIDE
N(2bromo45dimethylphenyl)2(2bromo6ethoxy4((Z)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetamide
ZINC000150663585
ZINC150663585

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Available files

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