Vitas-M small molecule compound
(2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Catalog ID
STK612773
SMILES O=C(N1CCN(CC1)c1nsc2c1cccc2)/C=C/c1cccc(c1)C(F)(F)F
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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 C21H18F3N3OS MW 417.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3OS/c22-21(23,24)16-5-3-4-15(14-16)8-9-19(28)26-10-12-27(13-11-26)20-17-6-1-2-7-18(17)29-25-20/h1-9,14H,10-13H2/b9-8+InChIKey
KKZQFOADFWLMQH-CMDGGOBGSA-NSynonyms
902310-98-9(2E)1(4(12benzothiazol3yl)piperazin1yl)3(3(trifluoromethyl)phenyl)prop2en1one
(E)1(4(12BENZOTHIAZOL3YL)PIPERAZIN1YL)3(3(TRIFLUOROMETHYL)PHENYL)PROP2EN1ONE
(E)1(4(benzo(d)isothiazol3yl)piperazin1yl)3(3(trifluoromethyl)phenyl)prop2en1one
902310989
C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)C=CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC21H18F3N3OSc2221(2324)1653415(1416)8919(28)26101227(131126)2017612718(17)292520h1914H1013H2b98+
MFCD06791721
O=C(N1CCN(CC1)c1nsc2c1cccc2)C=Cc1cccc(c1)C(F)(F)F
ZINC000005348490
ZINC05348490
ZINC5348490
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