Vitas-M small molecule compound

(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK868253
SMILES Brc1ccc(cc1)N/C(=C/1\C(=O)N(N=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 C19H12BrF3N4OS MW 481.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrF3N4OS/c1-10(24-12-8-6-11(20)7-9-12)15-16(19(21,22)23)26-27(17(15)28)18-25-13-4-2-3-5-14(13)29-18/h2-9,24H,1H3/b15-10-
InChIKey
OMFTYNOURWFHAU-GDNBJRDFSA-N
Synonyms

(4Z)2(13benzothiazol2yl)4(1((4bromophenyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(4BROMOANILINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((4bromophenyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
Brc1ccc(cc1)NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4=CC=C(C=C4)Br
InChI=1SC19H12BrF3N4OSc110(24128611(20)7912)1516(19(2122)23)2627(17(15)28)182513423514(13)2918h2924H1H3b1510
MFCD06240655
ZINC000100094859
ZINC100094859

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Available files

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