Vitas-M small molecule compound

7-methyl-2-oxo-4-phenyl-6-(piperidinium-1-ylmethyl)-2H-chromen-5-olate

Catalog ID
STK618894
SMILES O=c1oc2cc(C)c(c(c2c(c1)c1ccccc1)[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 C22H23NO3 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3/c1-15-12-19-21(22(25)18(15)14-23-10-6-3-7-11-23)17(13-20(24)26-19)16-8-4-2-5-9-16/h2,4-5,8-9,12-13,25H,3,6-7,10-11,14H2,1H3
InChIKey
JUGWLHHBCHTWGR-UHFFFAOYSA-N
Synonyms

5HYDROXY7METHYL4PHENYL6(PIPERIDIN1YLMETHYL)CHROMEN2ONE
7methyl2oxo4phenyl6(piperidinium1ylmethyl)2Hchromen5olate
CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1CN4CCCCC4)O
InChI=1SC22H23NO3c115121921(22(25)18(15)1423106371123)17(1320(24)2619)168425916h24589121325H367101114H21H3
MFCD02170905
O=c1oc2cc(C)c(c(c2c(c1)c1ccccc1)(O))C(NH+)1CCCCC1
ZINC000000045164
ZINC45164

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Available files

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