Vitas-M small molecule compound
3-(3-methoxyphenyl)-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STK635962
SMILES COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C[NH+]1CCCCC1)[O-]
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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 C22H23NO4 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4/c1-26-17-7-5-6-15(12-17)18-13-16-8-9-20(24)19(21(16)27-22(18)25)14-23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11,14H2,1H3InChIKey
JWBZTBQCSNXJNY-UHFFFAOYSA-NSynonyms
951996-57-93(3methoxyphenyl)2oxo8(piperidinium1ylmethyl)2Hchromen7olate
7hydroxy3(3methoxyphenyl)8(piperidin1ylmethyl)chromen2one
7HYDROXY3(3METHOXYPHENYL)8(PIPERIDYLMETHYL)CHROMEN2ONE
COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCCCC4)OC2=O
COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C(NH+)1CCCCC1)(O)
InChI=1SC22H23NO4c1261775615(1217)1813168920(24)19(21(16)2722(18)25)1423103241123h59121324H24101114H21H3
MFCD09858477
ZINC000013734284
ZINC13734284
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