Vitas-M small molecule compound
2-oxo-7-phenyl-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-6-olate
Catalog ID
STK596688
SMILES O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCN(CC1)C/C=C/c1ccccc1)[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 C29H28N2O3 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3/c32-27-19-26-24(18-29(33)34-28(26)20-25(27)23-11-5-2-6-12-23)21-31-16-14-30(15-17-31)13-7-10-22-8-3-1-4-9-22/h1-12,18-20,32H,13-17,21H2/b10-7+InChIKey
XBMPMLHJLHIHRD-JXMROGBWSA-NSynonyms
1164452-39-42oxo7phenyl4((4((2E)3phenylprop2en1yl)piperazin1ium1yl)methyl)2Hchromen6olate
C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)C5=CC=CC=C5
InChI=1SC29H28N2O3c3227192624(1829(33)3428(26)2025(27)23115261223)2131161430(151731)13710228314922h112182032H131721H2b107+
MFCD06604937
O=c1oc2cc(c3ccccc3)c(cc2c(c1)C(NH+)1CCN(CC1)CC=Cc1ccccc1)(O)
ZINC000020519327
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