Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262858
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCN1CCNCC1
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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 C19H21F3N6OS MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21F3N6OS/c1-12(24-8-11-27-9-6-23-7-10-27)15-16(19(20,21)22)26-28(17(15)29)18-25-13-4-2-3-5-14(13)30-18/h2-5,23-24H,6-11H2,1H3/b15-12-InChIKey
PZFTZJFWUXQIBE-QINSGFPZSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1((2(PIPERAZIN1YL)ETHYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1(2PIPERAZIN1YLETHYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCN4CCNCC4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCN1CCNCC1
InChI=1SC19H21F3N6OSc112(2481127962371027)1516(19(2021)22)2628(17(15)29)182513423514(13)3018h252324H611H21H3b1512
MFCD08594067
ZINC000022941024
ZINC22941024
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