Vitas-M small molecule compound
2-(2-bromo-6-methoxy-4-{(E)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STK292837
SMILES CSc1cccc(c1)NC(=O)COc1c(Br)cc(cc1OC)/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 C27H22BrN3O7S2 MW 644.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O7S2/c1-37-22-11-17(10-21(28)25(22)38-15-24(32)29-18-4-3-5-20(13-18)39-2)12-23-26(33)30(27(34)40-23)14-16-6-8-19(9-7-16)31(35)36/h3-13H,14-15H2,1-2H3,(H,29,32)/b23-12+InChIKey
KQIGYCIIJSSFML-FSJBWODESA-NSynonyms
2(2bromo6methoxy4((E)(3((4nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)N(3methylsulfanylphenyl)acetamide
2(2bromo6methoxy4((E)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)N(3(methylsulfanyl)phenyl)acetamide
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O))Br)OCC(=O)NC4=CC(=CC=C4)SC
CSc1cccc(c1)NC(=O)COc1c(Br)cc(cc1OC)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H22BrN3O7S2c137221117(1021(28)25(22)381524(32)291843520(1318)392)122326(33)30(27(34)4023)14166819(9716)31(35)36h313H1415H212H3(H2932)b2312+
MFCD09960494
ZINC000150386026
ZINC150386026
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