Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STK621672
SMILES COc1cc(ccc1OC)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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-27-20-9-7-15(13-21(20)28-2)17-12-16-6-8-19(25)18(22(16)29-23(17)26)14-24-10-4-3-5-11-24/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3InChIKey
IHVGGZBFXHCELH-UHFFFAOYSA-NSynonyms
869081-09-43(34dimethoxyphenyl)2oxo8(piperidinium1ylmethyl)2Hchromen7olate
3(34DIMETHOXYPHENYL)7HYDROXY8(PIPERIDIN1YLMETHYL)CHROMEN2ONE
3(34DIMETHOXYPHENYL)7HYDROXY8(PIPERIDYLMETHYL)CHROMEN2ONE
COC1=C(C=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCCCC4)OC2=O)OC
COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C(NH+)1CCCCC1)(O)
InChI=1SC23H25NO5c127209715(1321(20)282)1712166819(25)18(22(16)2923(17)26)1424104351124h69121325H35101114H212H3
MFCD06405963
ZINC000001237923
ZINC1237923
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