Vitas-M small molecule compound

3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-6-(piperidinium-1-ylmethyl)-2H-chromen-7-olate

Catalog ID
STK631393
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2C)[O-])C[NH+]1CCCCC1

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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 C22H29NO5 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5/c1-4-27-19(24)9-8-17-14(2)18-12-16(13-23-10-6-5-7-11-23)20(25)15(3)21(18)28-22(17)26/h12,25H,4-11,13H2,1-3H3
InChIKey
XOHJPALVJKSUSH-UHFFFAOYSA-N
Synonyms
929858-50-4
3(3ethoxy3oxopropyl)48dimethyl2oxo6(piperidinium1ylmethyl)2Hchromen7olate
929858504
CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)CN3CCCCC3)C
CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2C)(O))C(NH+)1CCCCC1
ethyl3(7hydroxy48dimethyl2oxo6(piperidin1ylmethyl)chromen3yl)propanoate
InChI=1SC22H29NO5c142719(24)981714(2)181216(1323106571123)20(25)15(3)21(18)2822(17)26h1225H41113H213H3
MFCD09844393
ZINC000009476735
ZINC9476735

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Available files

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