Vitas-M small molecule compound
4-[(Z)-{2-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]-2-methoxyphenyl acetate
Catalog ID
STK907042
SMILES COc1cc(ccc1OC(=O)C)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)F
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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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-13(27)30-17-9-5-15(11-18(17)29-2)12-19-21(28)26-22(31-19)24-20(25-26)10-6-14-3-7-16(23)8-4-14/h3-12H,1-2H3/b10-6+,19-12-InChIKey
SYQUADMTAOONMK-RQYXHQRCSA-NSynonyms
(4((Z)(2((E)2(4fluorophenyl)ethenyl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)2methoxyphenyl)acetate
4((Z)(2((E)2(4fluorophenyl)ethenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)F)S2)OC
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)F
InChI=1SC22H16FN3O4Sc113(27)30179515(1118(17)292)121921(28)2622(3119)2420(2526)106143716(23)8414h312H12H3b106+1912
MFCD18076422
ZINC000027023150
ZINC27023150
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