Vitas-M small molecule compound

propyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate

Catalog ID
STK924824
SMILES CCCOC(=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 C27H29F3N2O6 MW 534.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29F3N2O6/c1-3-15-36-26(35)17-5-7-18(8-6-17)37-24-22(34)19-9-10-21(33)20(23(19)38-25(24)27(28,29)30)16-32-13-11-31(4-2)12-14-32/h5-10,33H,3-4,11-16H2,1-2H3
InChIKey
IBCGKHDASABYJC-UHFFFAOYSA-N
Synonyms
846593-58-6
8((4ETHYLPIPERAZIN1IUM1YL)METHYL)4OXO3(4PROPOXYCARBONYLPHENOXY)2(TRIFLUOROMETHYL)CHROMEN7OLATE
846593586
CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CC)O)C(F)(F)F
InChI=1SC27H29F3N2O6c13153626(35)175718(8617)372422(34)1991021(33)20(23(19)3825(24)27(2829)30)1632131131(42)121432h51033H341116H212H3
MFCD04176268
propyl4((8((4ethylpiperazin1yl)methyl)7hydroxy4oxo2(trifluoromethyl)4Hchromen3yl)oxy)benzoate
PROPYL4(8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY4OXO2(TRIFLUOROMETHYL)CHROMEN3YL)OXYBENZOATE
PROPYL4(8((4ETHYLPIPERAZINYL)METHYL)7HYDROXY4OXO2(TRIFLUOROMETHYL)CHROMEN3YLOXY)BENZOATE
ZINC000019367815
ZINC19367815

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.