Vitas-M small molecule compound

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

Catalog ID
STK923208
SMILES OCCN1CCN(CC1)Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccc(cc1)C(=O)OC)C(F)(F)F

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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 C25H25F3N2O7 MW 522.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F3N2O7/c1-35-24(34)15-2-4-16(5-3-15)36-22-20(33)17-6-7-19(32)18(21(17)37-23(22)25(26,27)28)14-30-10-8-29(9-11-30)12-13-31/h2-7,31-32H,8-14H2,1H3
InChIKey
IEUCHFLMWGXCFQ-UHFFFAOYSA-N
Synonyms
637753-57-2
637753572
8((4(2HYDROXYETHYL)PIPERAZIN1IUM1YL)METHYL)3(4METHOXYCARBONYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7OLATE
COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCO)O)C(F)(F)F
InChI=1SC25H25F3N2O7c13524(34)152416(5315)362220(33)176719(32)18(21(17)3723(22)25(2627)28)143010829(91130)121331h273132H814H21H3
methyl4((7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4oxo2(trifluoromethyl)4Hchromen3yl)oxy)benzoate
METHYL4(7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4OXO2(TRIFLUOROMETHYL)CHROMEN3YL)OXYBENZOATE
METHYL4(7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4OXO2(TRIFLUOROMETHYL)CHROMEN3YLOXY)BENZOATE
MFCD04163777
ZINC000020358386
ZINC20358386

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Available files

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