Vitas-M small molecule compound
6-ethyl-2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-7-olate
Catalog ID
STK575534
SMILES CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)C/C=C/c1ccccc1
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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 C25H28N2O3 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3/c1-2-20-15-22-21(16-25(29)30-24(22)17-23(20)28)18-27-13-11-26(12-14-27)10-6-9-19-7-4-3-5-8-19/h3-9,15-17,28H,2,10-14,18H2,1H3/b9-6+InChIKey
LLTIILJSUUKCDL-RMKNXTFCSA-NSynonyms
896074-47-84((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)METHYL)6ETHYL7HYDROXYCHROMEN2ONE
6ethyl2oxo4((4((2E)3phenylprop2en1yl)piperazin1ium1yl)methyl)2Hchromen7olate
6ethyl2oxo4((4((E)3phenylprop2enyl)piperazin1ium1yl)methyl)chromen7olate
6ETHYL7HYDROXY4((4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C(NH+)3CCN(CC3)CC=CC4=CC=CC=C4)(O)
CCc1cc2c(cc1(O))oc(=O)cc2C(NH+)1CCN(CC1)CC=Cc1ccccc1
InChI=1SC25H28N2O3c1220152221(1625(29)3024(22)1723(20)28)1827131126(121427)1069197435819h39151728H2101418H21H3b96+
MFCD06592291
ZINC000020412532
ZINC20412532
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