Vitas-M small molecule compound
2-bromo-4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Catalog ID
STK819906
SMILES COc1cc(cc(c1OC(=O)C)Br)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(c(c1)OC)OC
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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 C22H18BrN3O6S MW 532.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O6S/c1-11(27)32-19-14(23)7-12(8-17(19)31-4)9-18-21(28)26-22(33-18)24-20(25-26)13-5-6-15(29-2)16(10-13)30-3/h5-10H,1-4H3/b18-9-InChIKey
LTNSQYCKBUDTGY-NVMNQCDNSA-NSynonyms
(2BROMO4((Z)(2(34DIMETHOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)6METHOXYPHENYL)ACETATE
2bromo4((Z)(2(34dimethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)6methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1Br)C=C2C(=O)N3C(=NC(=N3)C4=CC(=C(C=C4)OC)OC)S2)OC
COc1cc(cc(c1OC(=O)C)Br)C=c1sc2n(c1=O)nc(n2)c1ccc(c(c1)OC)OC
InChI=1SC22H18BrN3O6Sc111(27)321914(23)712(817(19)314)91821(28)2622(3318)2420(2526)135615(292)16(1013)303h510H14H3b189
MFCD04448701
ZINC000003637310
ZINC3637310
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