Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851129
SMILES CCN1CC[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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-2-23-8-10-24(11-9-23)14-17-18(25)6-5-16-20(26)19(27-21(16)17)12-15-4-3-7-22-13-15/h3-7,12-13,25H,2,8-11,14H2,1H3/b19-12-InChIKey
OCJYFILZGPGGSP-UNOMPAQXSA-NSynonyms
899390-94-4(2Z)7((4ethylpiperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
899390944
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC21H23N3O3c122381024(11923)141718(25)651620(26)19(2721(16)17)1215437221315h37121325H281114H21H3b1912
MFCD06604871
ZINC000020519305
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