Vitas-M small molecule compound
2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-6-olate
Catalog ID
STK599321
SMILES [O-]c1ccc2c(c1)c(C[NH+]1CCN(CC1)C/C=C/c1ccccc1)cc(=O)o2
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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 C23H24N2O3 MW 376.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O3/c26-20-8-9-22-21(16-20)19(15-23(27)28-22)17-25-13-11-24(12-14-25)10-4-7-18-5-2-1-3-6-18/h1-9,15-16,26H,10-14,17H2/b7-4+InChIKey
ZZRKUYUTTGDFAH-QPJJXVBHSA-NSynonyms
1164493-53-1(O)c1ccc2c(c1)c(C(NH+)1CCN(CC1)CC=Cc1ccccc1)cc(=O)o2
2oxo4((4((2E)3phenylprop2en1yl)piperazin1ium1yl)methyl)2Hchromen6olate
6HYDROXY4((4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=C(C=C4)O
InChI=1SC23H24N2O3c2620892221(1620)19(1523(27)2822)1725131124(121425)1047185213618h19151626H101417H2b74+
MFCD06592992
ZINC000020503680
ZINC20503680
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