Vitas-M small molecule compound

4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-ethyl-2-oxo-2H-chromen-7-olate

Catalog ID
STK591026
SMILES CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)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 C23H26N2O3 MW 378.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3/c1-2-18-12-20-19(13-23(27)28-22(20)14-21(18)26)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,12-14,26H,2,8-11,15-16H2,1H3
InChIKey
GHGBUVFGWVYFOX-UHFFFAOYSA-N
Synonyms
900894-23-7
4((4benzylpiperazin1ium1yl)methyl)6ethyl2oxo2Hchromen7olate
4((4benzylpiperazin1ium1yl)methyl)6ethyl2oxochromen7olate
4((4BENZYLPIPERAZIN1YL)METHYL)6ETHYL7HYDROXYCHROMEN2ONE
4((4BENZYLPIPERAZINO)METHYL)6ETHYL7HYDROXYCOUMARIN
6ETHYL7HYDROXY4((4(PHENYLMETHYL)1PIPERAZINYL)METHYL)1BENZOPYRAN2ONE
6ETHYL7HYDROXY4((4BENZYLPIPERAZINYL)METHYL)CHROMEN2ONE
6ETHYL7OXIDANYL4((4(PHENYLMETHYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C(NH+)3CCN(CC3)CC4=CC=CC=C4)(O)
CCc1cc2c(cc1(O))oc(=O)cc2C(NH+)1CCN(CC1)Cc1ccccc1
InChI=1SC23H26N2O3c1218122019(1323(27)2822(20)1421(18)26)162510824(91125)15176435717h37121426H28111516H21H3
MFCD06779642
ZINC000020547352
ZINC20547352

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Available files

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