Vitas-M small molecule compound
(2E)-N-{[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Catalog ID
STK383708
SMILES S=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)NC(=O)/C=C/c1ccc(cc1)C(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 C25H28F3N3OS MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3N3OS/c1-17(2)19-9-6-18(7-10-19)8-13-23(32)30-24(33)29-21-16-20(25(26,27)28)11-12-22(21)31-14-4-3-5-15-31/h6-13,16-17H,3-5,14-15H2,1-2H3,(H2,29,30,32,33)/b13-8+InChIKey
CBZOLCOULJHPLR-MDWZMJQESA-NSynonyms
(2E)N((2(piperidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)3(4(propan2yl)phenyl)prop2enamide
(E)N((2PIPERIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)3(4PROPAN2YLPHENYL)PROP2ENAMIDE
CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3
InChI=1SC25H28F3N3OSc117(2)199618(71019)81323(32)3024(33)29211620(25(2627)28)111222(21)31144351531h6131617H351415H212H3(H229303233)b138+
MFCD03650073
S=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)NC(=O)C=Cc1ccc(cc1)C(C)C
ZINC000004120024
ZINC04120024
ZINC4120024
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