Vitas-M small molecule compound

4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-2H-chromen-6-olate

Catalog ID
STK574509
SMILES O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCN(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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c30-25-16-24-22(15-27(31)32-26(24)17-23(25)21-9-5-2-6-10-21)19-29-13-11-28(12-14-29)18-20-7-3-1-4-8-20/h1-10,15-17,30H,11-14,18-19H2
InChIKey
ODDGRCOUDBKCBY-UHFFFAOYSA-N
Synonyms
877794-36-0
4((4benzylpiperazin1ium1yl)methyl)2oxo7phenyl2Hchromen6olate
C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)C5=CC=CC=C5
InChI=1SC27H26N2O3c3025162422(1527(31)3226(24)1723(25)2195261021)1929131128(121429)18207314820h110151730H11141819H2
MFCD05702829
O=c1oc2cc(c3ccccc3)c(cc2c(c1)C(NH+)1CCN(CC1)Cc1ccccc1)(O)
ZINC000020502605

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Available files

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