Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-methylbutyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK149816
SMILES CC(CCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C
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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 C18H19F3N4OS MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N4OS/c1-10(2)8-9-22-11(3)14-15(18(19,20)21)24-25(16(14)26)17-23-12-6-4-5-7-13(12)27-17/h4-7,10,22H,8-9H2,1-3H3/b14-11+InChIKey
VNONHBKJXQVIFC-SDNWHVSQSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((3METHYLBUTYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(3methylbutylamino)ethylidene)5(trifluoromethyl)pyrazol3one
1BENZOTHIAZOL2YL4(((3METHYLBUTYL)AMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CC(C)CCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)C
CC(CCNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C)C
InChI=1SC18H19F3N4OSc110(2)892211(3)1415(18(1920)21)2425(16(14)26)172312645713(12)2717h471022H89H213H3b1411+
MFCD03759859
ZINC000004679126
ZINC04679126
ZINC4679126
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