Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK847967
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)[N+](=O)[O-])/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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-2-23-9-11-24(12-10-23)14-18-19(26)8-7-17-21(27)20(30-22(17)18)13-15-3-5-16(6-4-15)25(28)29/h3-8,13,26H,2,9-12,14H2,1H3/b20-13-InChIKey
UWGGEGGXVJJHMH-MOSHPQCFSA-NSynonyms
896807-03-7(2Z)7((4ethylpiperazin1ium1yl)methyl)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY2((4NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY2((4NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
896807037
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=O)O
InChI=1SC22H23N3O5c122391124(121023)141819(26)871721(27)20(3022(17)18)13153516(6415)25(28)29h381326H291214H21H3b2013
MFCD06595069
ZINC000020503994
ZINC20503994
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