Vitas-M small molecule compound

8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-olate

Catalog ID
STK630660
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1ccc(cc1)OC

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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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-29-18-5-2-16(3-6-18)19-14-17-4-7-21(27)20(22(17)30-23(19)28)15-25-10-8-24(9-11-25)12-13-26/h2-7,14,26-27H,8-13,15H2,1H3
InChIKey
YXIFZBFVPOCOGG-UHFFFAOYSA-N
Synonyms
869340-77-2
7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)3(4METHOXYPHENYL)CHROMEN2ONE
7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)3(4METHOXYPHENYL)CHROMEN2ONE
8((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(4methoxyphenyl)2oxo2Hchromen7olate
8((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(4methoxyphenyl)2oxochromen7olate
COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)(O))C(NH+)4CCN(CC4)CCO)OC2=O
InChI=1SC23H26N2O5c129185216(3618)1914174721(27)20(22(17)3023(19)28)152510824(91125)121326h27142627H81315H21H3
MFCD06405986
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2)c1ccc(cc1)OC
ZINC000020605090
ZINC20605090

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Available files

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