Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(pyridin-3-ylmethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL170963
SMILES O=C1N(N=C(/C/1=C\NCc1cccnc1)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 C18H12F3N5OS MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N5OS/c19-18(20,21)15-12(10-23-9-11-4-3-7-22-8-11)16(27)26(25-15)17-24-13-5-1-2-6-14(13)28-17/h1-8,10,23H,9H2/b12-10+InChIKey
KKVAZBAKESYVKV-ZRDIBKRKSA-NSynonyms
362622-18-2(4E)2(13benzothiazol2yl)4(((pyridin3ylmethyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((PYRIDIN3YLMETHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(((3PYRIDINYLMETHYL)IMINO)METHYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
362622182
4((1E)3(3PYRIDYL)2AZAPROP1ENYL)1BENZOTHIAZOL2YL3(TRIFLUOROMETHYL)3PYRAZOLIN5ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CN=CC=C4)C(=N3)C(F)(F)F
InChI=1SC18H12F3N5OSc1918(2021)1512(102391143722811)16(27)26(2515)172413512614(13)2817h181023H9H2b1210+
MFCD01210644
O=C1N(N=C(C1=CNCc1cccnc1)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000005338684
ZINC5338684
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