Vitas-M small molecule compound
2-bromo-4-{(Z)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Catalog ID
STK815324
SMILES CCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cc(Br)c(c(c1)OC)OC(=O)C)/s2
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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 C22H18BrN3O5S MW 516.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O5S/c1-4-30-15-7-5-14(6-8-15)20-24-22-26(25-20)21(28)18(32-22)11-13-9-16(23)19(31-12(2)27)17(10-13)29-3/h5-11H,4H2,1-3H3/b18-11-InChIKey
JKZMAAGEZYRQGS-WQRHYEAKSA-NSynonyms
(2BROMO4((Z)(2(4ETHOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)6METHOXYPHENYL)ACETATE
2bromo4((Z)(2(4ethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)6methoxyphenylacetate
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)Br)OC(=O)C)OC)SC3=N2
CCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cc(Br)c(c(c1)OC)OC(=O)C)s2
InChI=1SC22H18BrN3O5Sc1430157514(6815)20242226(2520)21(28)18(3222)1113916(23)19(3112(2)27)17(1013)293h511H4H213H3b1811
MFCD03533201
ZINC000016805596
ZINC16805596
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