Vitas-M small molecule compound
{2-bromo-6-ethoxy-4-[(Z)-(8-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK676430
SMILES CCOc1cc(cc(c1OCC(=O)O)Br)/C=c/1\sc2n(c1=O)c1c(n2)c(C)ccc1
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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 C21H17BrN2O5S MW 489.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O5S/c1-3-28-15-8-12(7-13(22)19(15)29-10-17(25)26)9-16-20(27)24-14-6-4-5-11(2)18(14)23-21(24)30-16/h4-9H,3,10H2,1-2H3,(H,25,26)/b16-9-InChIKey
QEXXFWNUCWJQKH-SXGWCWSVSA-NSynonyms
(2bromo6ethoxy4((Z)(8methyl3oxo(13)thiazolo(32a)benzimidazol2(3H)ylidene)methyl)phenoxy)aceticacid
(2BROMO6ETHOXY4(8METHYL3OXOBENZO(45)IMIDAZO(21B)THIAZOLYLIDENEMETHYL)PHENOXY)ACETICACID
2(2BROMO6ETHOXY4((Z)(5METHYL1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C4=CC=CC(=C4N=C3S2)C)Br)OCC(=O)O
CCOc1cc(cc(c1OCC(=O)O)Br)C=c1sc2n(c1=O)c1c(n2)c(C)ccc1
InChI=1SC21H17BrN2O5Sc132815812(713(22)19(15)291017(25)26)91620(27)241464511(2)18(14)2321(24)3016h49H310H212H3(H2526)b169
MFCD01872411
ZINC000008854961
ZINC8854961
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