Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868275
SMILES COc1cc(CCN/C(=C/2\C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)/C)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 C23H21F3N4O3S MW 490.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N4O3S/c1-13(27-11-10-14-8-9-16(32-2)17(12-14)33-3)19-20(23(24,25)26)29-30(21(19)31)22-28-15-6-4-5-7-18(15)34-22/h4-9,12,27H,10-11H2,1-3H3/b19-13-InChIKey
KPPGJGKZRVPBNQ-UYRXBGFRSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((2(34dimethoxyphenyl)ethyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(2(34DIMETHOXYPHENYL)ETHYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((34dimethoxyphenethyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCC4=CC(=C(C=C4)OC)OC
COc1cc(CCNC(=C2C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)C)ccc1OC
InChI=1SC23H21F3N4O3Sc113(271110148916(322)17(1214)333)1920(23(2425)26)2930(21(19)31)222815645718(15)3422h491227H1011H213H3b1913
MFCD01811000
ZINC000018059592
ZINC18059592
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