Vitas-M small molecule compound
4-[(4-benzylpiperidinium-1-yl)methyl]-2-oxo-7-phenyl-2H-chromen-6-olate
Catalog ID
STK591257
SMILES O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCC(CC1)Cc1ccccc1)[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 C28H27NO3 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO3/c30-26-17-25-23(16-28(31)32-27(25)18-24(26)22-9-5-2-6-10-22)19-29-13-11-21(12-14-29)15-20-7-3-1-4-8-20/h1-10,16-18,21,30H,11-15,19H2InChIKey
VIGXWSFLXWHHSI-UHFFFAOYSA-NSynonyms
862199-02-84((4benzylpiperidinium1yl)methyl)2oxo7phenyl2Hchromen6olate
C1CN(CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)C5=CC=CC=C5
InChI=1SC28H27NO3c3026172523(1628(31)3227(25)1824(26)2295261022)1929131121(121429)15207314820h11016182130H111519H2
MFCD05697096
O=c1oc2cc(c3ccccc3)c(cc2c(c1)C(NH+)1CCC(CC1)Cc1ccccc1)(O)
ZINC000005552694
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