Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850239
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/C2=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 C20H21N3O3 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3/c1-22-7-9-23(10-8-22)13-16-17(24)5-4-15-19(25)18(26-20(15)16)11-14-3-2-6-21-12-14/h2-6,11-12,24H,7-10,13H2,1H3/b18-11-InChIKey
VQFZEHZMHUKCKZ-WQRHYEAKSA-NSynonyms
896851-61-9(2Z)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4methylpiperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7((4methylpiperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4METHYLPIPERAZINYL)METHYL)2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896851619
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC20H21N3O3c1227923(10822)131617(24)541519(25)18(2620(15)16)1114326211214h26111224H71013H21H3b1811
MFCD06602880
ZINC000020518835
ZINC20518835
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