Vitas-M small molecule compound
(1E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-(thiophen-3-yl)hex-1-en-3-one
Catalog ID
STK070179
SMILES O=C(CC(C(F)(F)F)(c1ccccc1)O)/C=C/c1cscc1
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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 C16H13F3O2S MW 326.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3O2S/c17-16(18,19)15(21,13-4-2-1-3-5-13)10-14(20)7-6-12-8-9-22-11-12/h1-9,11,21H,10H2/b7-6+InChIKey
OHADLNDOWIELOA-VOTSOKGWSA-NSynonyms
(1E)666TRIFLUORO5HYDROXY5PHENYL1(THIOPHEN3YL)HEX1EN3ONE
(E)666TRIFLUORO5HYDROXY5PHENYL1THIOPHEN3YLHEX1EN3ONE
C1=CC=C(C=C1)C(CC(=O)C=CC2=CSC=C2)(C(F)(F)F)O
InChI=1SC16H13F3O2Sc1716(1819)15(21134213513)1014(20)761289221112h191121H10H2b76+
MFCD03034006
O=C(CC(C(F)(F)F)(c1ccccc1)O)C=Cc1cscc1
STK070179
ZINC000004599440
ZINC000004599441
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