Vitas-M small molecule compound
(3E)-4-[(2-{[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]amino}ethyl)amino]pent-3-en-2-one
Catalog ID
STK541901
SMILES OCc1c(F)c(F)c(c(c1F)F)NCCN/C(=C/C(=O)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 C14H16F4N2O2 MW 320.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F4N2O2/c1-7(5-8(2)22)19-3-4-20-14-12(17)10(15)9(6-21)11(16)13(14)18/h5,19-21H,3-4,6H2,1-2H3/b7-5+InChIKey
XUHZDPHCVLLHSN-FNORWQNLSA-NSynonyms
1164451-93-7(3E)4((2((2356tetrafluoro4(hydroxymethyl)phenyl)amino)ethyl)amino)pent3en2one
(E)4((2((2356tetrafluoro4(hydroxymethyl)phenyl)amino)ethyl)amino)pent3en2one
(E)4(2(2356tetrafluoro4(hydroxymethyl)anilino)ethylamino)pent3en2one
1164451937
CC(=CC(=O)C)NCCNC1=C(C(=C(C(=C1F)F)CO)F)F
InChI=1SC14H16F4N2O2c17(58(2)22)1934201412(17)10(15)9(621)11(16)13(14)18h51921H346H212H3b75+
MFCD03299656
OCc1c(F)c(F)c(c(c1F)F)NCCNC(=CC(=O)C)C
ZINC000017528837
ZINC17528837
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