Vitas-M small molecule compound
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
Catalog ID
STK921691
SMILES CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)CN1CCN(CC1)CC)O
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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 C26H27F3N2O6 MW 520.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3N2O6/c1-3-30-11-13-31(14-12-30)15-19-20(32)10-9-18-21(33)23(24(26(27,28)29)37-22(18)19)36-17-7-5-16(6-8-17)25(34)35-4-2/h5-10,32H,3-4,11-15H2,1-2H3InChIKey
DKRQGUYPSANRGE-UHFFFAOYSA-NSynonyms
846585-57-73(4ETHOXYCARBONYLPHENOXY)8((4ETHYLPIPERAZIN1IUM1YL)METHYL)4OXO2(TRIFLUOROMETHYL)CHROMEN7OLATE
846585577
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)(O)
ethyl4((8((4ethylpiperazin1yl)methyl)7hydroxy4oxo2(trifluoromethyl)4Hchromen3yl)oxy)benzoate
ETHYL4(8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY4OXO2(TRIFLUOROMETHYL)CHROMEN3YL)OXYBENZOATE
ETHYL4(8((4ETHYLPIPERAZINYL)METHYL)7HYDROXY4OXO2(TRIFLUOROMETHYL)CHROMEN3YLOXY)BENZOATE
InChI=1SC26H27F3N2O6c1330111331(141230)151920(32)1091821(33)23(24(26(2728)29)3722(18)19)36177516(6817)25(34)3542h51032H341115H212H3
MFCD04177645
ZINC000020393774
ZINC20393774
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