Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848756
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)CC)/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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-4-17-5-7-18(8-6-17)15-22-23(27)19-9-10-21(26)20(24(19)30-22)16-25(11-13-28-2)12-14-29-3/h5-10,15,26H,4,11-14,16H2,1-3H3/b22-15-InChIKey
LXSUKGSIUCEPSV-JCMHNJIXSA-NSynonyms
896840-77-0(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(4ethylbenzylidene)3oxo23dihydro1benzofuran6olate
896840770
CCC1=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)CC)C2=O)CCOC
InChI=1SC24H29NO5c14175718(8617)152223(27)1991021(26)20(24(19)3022)1625(1113282)1214293h5101526H4111416H213H3b2215
MFCD06601215
ZINC000013816411
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