Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(E)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK756064
SMILES COc1cc(CC/N=C/C2C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)ccc1OC
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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 C22H19F3N4O3S MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N4O3S/c1-31-16-8-7-13(11-17(16)32-2)9-10-26-12-14-19(22(23,24)25)28-29(20(14)30)21-27-15-5-3-4-6-18(15)33-21/h3-8,11-12,14H,9-10H2,1-2H3/b26-12+InChIKey
OGMYRHCLMRWJQJ-RPPGKUMJSA-NSynonyms
2(13benzothiazol2yl)4((E)((2(34dimethoxyphenyl)ethyl)imino)methyl)5(trifluoromethyl)24dihydro3Hpyrazol3one
COc1cc(CCN=CC2C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)ccc1OC
MFCD01304697
ZINC000017859897
ZINC000100057910
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