Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxybenzyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK325530
SMILES COc1ccc(cc1)C/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C
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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 C21H17F3N4O2S MW 446.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O2S/c1-12(25-11-13-7-9-14(30-2)10-8-13)17-18(21(22,23)24)27-28(19(17)29)20-26-15-5-3-4-6-16(15)31-20/h3-10,27H,11H2,1-2H3/b25-12+InChIKey
FCVZWQYRDUOGER-BRJLIKDPSA-NSynonyms
371945-39-0(E)2(benzo(d)thiazol2yl)4(1((4methoxybenzyl)imino)ethyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((1E)N(4methoxybenzyl)ethanimidoyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
371945390
COc1ccc(cc1)CN=C(c1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2)C
MFCD01810974
ZINC000018088312
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