Vitas-M small molecule compound

(2Z)-2-(4-ethylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK576904
SMILES CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCN(CC1)C)[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 C23H26N2O3 MW 378.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3/c1-3-16-4-6-17(7-5-16)14-21-22(27)18-8-9-20(26)19(23(18)28-21)15-25-12-10-24(2)11-13-25/h4-9,14,26H,3,10-13,15H2,1-2H3/b21-14-
InChIKey
NIWMWCONGMGMDY-STZFKDTASA-N
Synonyms
896827-59-1
(2Z)2((4ETHYLPHENYL)METHYLIDENE)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((4ethylphenyl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(4ethylbenzylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(1(4ETHYLPHENYL)METH(Z)YLIDENE)6HYDROXY7(4METHYLPIPERAZIN1YLMETHYL)BENZOFURAN3ONE
896827591
CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)C
CCc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC23H26N2O3c13164617(7516)142122(27)188920(26)19(23(18)2821)1525121024(2)111325h491426H3101315H212H3b2114
MFCD06598701
ZINC000022934511
ZINC22934511

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Available files

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