Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK207333
SMILES O=C1N(N=C(/C/1=C\NCCc1c[nH]cn1)C(F)(F)F)c1nc2c(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 C17H13F3N6OS MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N6OS/c18-17(19,20)14-11(8-21-6-5-10-7-22-9-23-10)15(27)26(25-14)16-24-12-3-1-2-4-13(12)28-16/h1-4,7-9,21H,5-6H2,(H,22,23)/b11-8+
InChIKey
QJOAAKZGKSIITQ-DHZHZOJOSA-N
Synonyms

(4E)2(13benzothiazol2yl)4(((2(1Himidazol4yl)ethyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((2(1HIMIDAZOL5YL)ETHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
1BENZOTHIAZOL2YL4(((2IMIDAZOL4YLETHYL)AMINO)METHYLENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCCC4=CN=CN4)C(=N3)C(F)(F)F
InChI=1SC17H13F3N6OSc1817(1920)1411(821651072292310)15(27)26(2514)162412312413(12)2816h147921H56H2(H2223)b118+
MFCD06242276
O=C1N(N=C(C1=CNCCc1c(nH)cn1)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000003770732
ZINC3770732

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Available files

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