Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-ethoxyphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK189815
SMILES CCOc1ccc(cc1)N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/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 C21H17F3N4O2S MW 446.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O2S/c1-3-30-14-10-8-13(9-11-14)25-12(2)17-18(21(22,23)24)27-28(19(17)29)20-26-15-6-4-5-7-16(15)31-20/h4-11,25H,3H2,1-2H3/b17-12+InChIKey
SPWWBDJUBZERQB-SFQUDFHCSA-NSynonyms
352688-08-5(4E)2(13BENZOTHIAZOL2YL)4(1((4ETHOXYPHENYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(4ETHOXYANILINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
352688085
CCOC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C
CCOc1ccc(cc1)NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
InChI=1SC21H17F3N4O2Sc13301410813(91114)2512(2)1718(21(2223)24)2728(19(17)29)202615645716(15)3120h41125H3H212H3b1712+
MFCD01466124
ZINC000100246743
ZINC100246743
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