Vitas-M small molecule compound

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

Catalog ID
STK852743
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/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/c1-22-8-10-23(11-9-22)13-16-17(24)3-2-15-19(25)18(26-20(15)16)12-14-4-6-21-7-5-14/h2-7,12,24H,8-11,13H2,1H3/b18-12-
InChIKey
ZSUPPZRGCRTCPN-PDGQHHTCSA-N
Synonyms
896839-82-0
(2Z)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4methylpiperazin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)1benzofuran6olate
(2Z)7((4methylpiperazin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4METHYLPIPERAZINYL)METHYL)2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896839820
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)(O)
InChI=1SC20H21N3O3c12281023(11922)131617(24)321519(25)18(2620(15)16)121446217514h271224H81113H21H3b1812
MFCD06600803
ZINC000020518422
ZINC20518422

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Available files

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