Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK847957
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C)/C2=O)CCOC
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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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-16-4-6-17(7-5-16)14-21-22(26)18-8-9-20(25)19(23(18)29-21)15-24(10-12-27-2)11-13-28-3/h4-9,14,25H,10-13,15H2,1-3H3/b21-14-InChIKey
UEQBSRWNDVENPF-STZFKDTASA-NSynonyms
900288-16-6(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(4methylbenzylidene)3oxo23dihydro1benzofuran6olate
900288166
CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CCOC)CCOC
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C)C2=O)CCOC
InChI=1SC23H27NO5c1164617(7516)142122(26)188920(25)19(23(18)2921)1524(1012272)1113283h491425H101315H213H3b2114
MFCD06612691
ZINC000002358829
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Check stock on Vitas-MAvailable files
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