Vitas-M small molecule compound
4-{(E)-[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
Catalog ID
STK810687
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(c(c1)OCC)OC(=O)C)/c2=O
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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-4-6-13-32-19-10-8-18(9-11-19)23-26-25-28(27-23)24(30)22(34-25)15-17-7-12-20(33-16(3)29)21(14-17)31-5-2/h7-12,14-15H,4-6,13H2,1-3H3/b22-15+InChIKey
USFBJTUFYUCZMN-PXLXIMEGSA-NSynonyms
(4((E)(2(4butoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)2ethoxyphenyl)acetate
4((E)(2(4butoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)2ethoxyphenylacetate
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OCC)OC(=O)C)c2=O
InChI=1SC25H25N3O5Sc14613321910818(91119)23262528(2723)24(30)22(3425)151771220(3316(3)29)21(1417)3152h7121415H4613H213H3b2215+
MFCD03933012
ZINC000016701224
ZINC16701224
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