Vitas-M small molecule compound
7-methyl-2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-6-olate
Catalog ID
STK583819
SMILES O=c1cc(C[NH+]2CCN(CC2)C/C=C/c2ccccc2)c2c(o1)cc(c(c2)[O-])C
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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 C24H26N2O3 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O3/c1-18-14-23-21(16-22(18)27)20(15-24(28)29-23)17-26-12-10-25(11-13-26)9-5-8-19-6-3-2-4-7-19/h2-8,14-16,27H,9-13,17H2,1H3/b8-5+InChIKey
NHRRIBVIKCYWCH-VMPITWQZSA-NSynonyms
1164522-61-54((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)METHYL)6HYDROXY7METHYLCHROMEN2ONE
6HYDROXY7METHYL4((4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
7methyl2oxo4((4((2E)3phenylprop2en1yl)piperazin1ium1yl)methyl)2Hchromen6olate
7methyl2oxo4((4((E)3phenylprop2enyl)piperazin1ium1yl)methyl)chromen6olate
CC1=C(C=C2C(=CC(=O)OC2=C1)C(NH+)3CCN(CC3)CC=CC4=CC=CC=C4)(O)
InChI=1SC24H26N2O3c118142321(1622(18)27)20(1524(28)2923)1726121025(111326)958196324719h28141627H91317H21H3b85+
MFCD06606814
O=c1cc(C(NH+)2CCN(CC2)CC=Cc2ccccc2)c2c(o1)cc(c(c2)(O))C
ZINC000020533189
ZINC20533189
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