Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-4-yl][4-(diethylamino)phenyl]methyl}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL147606
SMILES CCN(c1ccc(cc1)C(c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)CC
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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 C33H25F6N7O2S2 MW 729.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25F6N7O2S2/c1-3-44(4-2)18-15-13-17(14-16-18)23(24-26(32(34,35)36)42-45(28(24)47)30-40-19-9-5-7-11-21(19)49-30)25-27(33(37,38)39)43-46(29(25)48)31-41-20-10-6-8-12-22(20)50-31/h5-16,23-24,48H,3-4H2,1-2H3InChIKey
QCBZABMTJGYZKY-UHFFFAOYSA-NSynonyms
2(13benzothiazol2yl)4((1(13benzothiazol2yl)5hydroxy3(trifluoromethyl)1Hpyrazol4yl)(4(diethylamino)phenyl)methyl)5(trifluoromethyl)24dihydro3Hpyrazol3one
MFCD03810174
ZINC000150390346
ZINC000150390352
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