Vitas-M small molecule compound

(2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

Catalog ID
STK993087
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)/C=C/c1ccccc1)Br

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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 C25H17BrO5 MW 477.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrO5/c1-29-21-11-8-18(26)13-17(21)14-23-25(28)20-10-9-19(15-22(20)31-23)30-24(27)12-7-16-5-3-2-4-6-16/h2-15H,1H3/b12-7+,23-14-
InChIKey
KDFWDHKABUTNTG-RQXPBMLRSA-N
Synonyms
622790-57-2
((2Z)2((5BROMO2METHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)(E)3PHENYLPROP2ENOATE
(2Z)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6yl(2E)3phenylprop2enoate
(Z)2(5bromo2methoxybenzylidene)3oxo23dihydrobenzofuran6ylcinnamate
2((5BROMO2METHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL(2E)3PHENYLPROP2ENOATE
622790572
COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C=CC4=CC=CC=C4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OC(=O)C=Cc1ccccc1)Br
InChI=1SC25H17BrO5c1292111818(26)1317(21)142325(28)2010919(1522(20)3123)3024(27)127165324616h215H1H3b127+2314
MFCD04192648
ZINC000009048080
ZINC09048080
ZINC9048080

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Available files

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