Vitas-M small molecule compound

(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK849617
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/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 C23H26BrNO6 MW 492.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO6/c1-28-10-8-25(9-11-29-2)14-18-19(26)6-5-17-22(27)21(31-23(17)18)13-15-12-16(24)4-7-20(15)30-3/h4-7,12-13,26H,8-11,14H2,1-3H3/b21-13-
InChIKey
IDUGJQLYJMNITP-BKUYFWCQSA-N
Synonyms
896596-86-4
(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6olate
896596864
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)Br)OC)C2=O)O
InChI=1SC23H26BrNO6c12810825(911292)141819(26)651722(27)21(3123(17)18)13151216(24)4720(15)303h47121326H81114H213H3b2113
MFCD06594871
ZINC000020503982

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Available files

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