Vitas-M small molecule compound
(2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849370
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/C2=O)Cc1ccccc1
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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 C22H19NO4 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO4/c1-23(13-15-6-3-2-4-7-15)14-18-19(24)10-9-17-21(25)20(27-22(17)18)12-16-8-5-11-26-16/h2-12,24H,13-14H2,1H3/b20-12-InChIKey
OMWLWEJRTTUCGC-NDENLUEZSA-NSynonyms
899392-15-5(2Z)7((BENZYL(METHYL)AMINO)METHYL)2(FURAN2YLMETHYLIDENE)6HYDROXY1BENZOFURAN3ONE
(2Z)7((benzyl(methyl)ammonio)methyl)2(furan2ylmethylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((benzyl(methyl)azaniumyl)methyl)2(furan2ylmethylidene)3oxo1benzofuran6olate
2(2FURYLMETHYLENE)6HYDROXY7((METHYLBENZYLAMINO)METHYL)BENZO(B)FURAN3ONE
899392155
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccco1)C2=O)Cc1ccccc1
InChI=1SC22H19NO4c123(13156324715)141819(24)1091721(25)20(2722(17)18)121685112616h21224H1314H21H3b2012
MFCD06609905
ZINC000020533358
ZINC20533358
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