Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK207420
SMILES CC/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCc1c[nH]cn1
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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 C19H17F3N6OS MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N6OS/c1-2-12(24-8-7-11-9-23-10-25-11)15-16(19(20,21)22)27-28(17(15)29)18-26-13-5-3-4-6-14(13)30-18/h3-6,9-10,24H,2,7-8H2,1H3,(H,23,25)/b15-12-InChIKey
PEEXQWUFSWCKPL-QINSGFPZSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((2(1Himidazol4yl)ethyl)amino)propylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1(2(1Himidazol5yl)ethylamino)propylidene)5(trifluoromethyl)pyrazol3one
1BENZOTHIAZOL2YL4(((2IMIDAZOL4YLETHYL)AMINO)PROPYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCC4=CN=CN4
CCC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCc1c(nH)cn1
InChI=1SC19H17F3N6OSc1212(248711923102511)1516(19(2021)22)2728(17(15)29)182613534614(13)3018h3691024H278H21H3(H2325)b1512
MFCD06754539
ZINC000100432893
ZINC09972298
ZINC100432893
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