Vitas-M small molecule compound

8-{[benzyl(methyl)ammonio]methyl}-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK580917
SMILES C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F)Cc1ccccc1

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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 C29H22F3NO4 MW 505.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22F3NO4/c1-33(16-18-7-3-2-4-8-18)17-23-24(34)14-13-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-12-11-19-9-5-6-10-20(19)15-21/h2-15,34H,16-17H2,1H3
InChIKey
YOHVQBHYPXMBRM-UHFFFAOYSA-N
Synonyms
384373-22-2
384373222
7HYDROXY8((METHYLBENZYLAMINO)METHYL)3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
8((BENZYL(METHYL)AMINO)METHYL)7HYDROXY3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8((BENZYL(METHYL)AMINO)METHYL)7HYDROXY3NAPHTHALEN2YLOXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((benzyl(methyl)ammonio)methyl)3(naphthalen2yloxy)4oxo2(trifluoromethyl)4Hchromen7olate
8((benzyl(methyl)azaniumyl)methyl)3naphthalen2yloxy4oxo2(trifluoromethyl)chromen7olate
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)(O)
C(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F)Cc1ccccc1
InChI=1SC29H22F3NO4c133(16187324818)172324(34)14132225(35)27(28(29(3031)32)3726(22)23)36211211199561020(19)1521h21534H1617H21H3
MFCD02359885
ZINC000054209006
ZINC54209006

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Available files

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