Vitas-M small molecule compound

(5Z)-5-(5-bromo-2-methoxybenzylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK516276
SMILES COc1cc(/C=C/c2nn3c(n2)s/c(=C\c2cc(Br)ccc2OC)/c3=O)ccc1OC

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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 C22H18BrN3O4S MW 500.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O4S/c1-28-16-8-6-15(23)11-14(16)12-19-21(27)26-22(31-19)24-20(25-26)9-5-13-4-7-17(29-2)18(10-13)30-3/h4-12H,1-3H3/b9-5+,19-12-
InChIKey
HCLAHCUTESSWOD-RZUATBGRSA-N
Synonyms

(5Z)5((5bromo2methoxyphenyl)methylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(5bromo2methoxybenzylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)Br)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC(=C(C=C4)OC)OC)S2
COc1cc(C=Cc2nn3c(n2)sc(=Cc2cc(Br)ccc2OC)c3=O)ccc1OC
InChI=1SC22H18BrN3O4Sc128168615(23)1114(16)121921(27)2622(3119)2420(2526)95134717(292)18(1013)303h412H13H3b95+1912
MFCD06645589
ZINC000016742278
ZINC16742278

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Available files

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