Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[2-(1,3-benzothiazol-2-yl)hydrazinyl]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK096557
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NNc1nc2c(s1)cccc2
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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 C20H13F3N6OS2 MW 474.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F3N6OS2/c1-10(26-27-18-24-11-6-2-4-8-13(11)31-18)15-16(20(21,22)23)28-29(17(15)30)19-25-12-7-3-5-9-14(12)32-19/h2-9,26H,1H3,(H,24,27)/b15-10+InChIKey
AEOKBBMBQBVECW-XNTDXEJSSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1(2(13BENZOTHIAZOL2YL)HYDRAZINYL)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(2(13benzothiazol2yl)hydrazinyl)ethylidene)5(trifluoromethyl)pyrazol3one
(E)1(benzo(d)thiazol2yl)4(1(2(benzo(d)thiazol2yl)hydrazinyl)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((2BENZOTHIAZOL2YLHYDRAZINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NNC4=NC5=CC=CC=C5S4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NNc1nc2c(s1)cccc2
InChI=1SC20H13F3N6OS2c110(2627182411624813(11)3118)1516(20(2122)23)2829(17(15)30)192512735914(12)3219h2926H1H3(H2427)b1510+
MFCD02375693
STK096557
ZINC000009041735
ZINC09041735
ZINC9041735
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