Vitas-M small molecule compound

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate

Catalog ID
STK924348
SMILES Brc1ccc(cc1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O

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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 C21H13BrO5 MW 425.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrO5/c1-12-2-7-15(25-12)11-19-20(23)17-9-8-16(10-18(17)27-19)26-21(24)13-3-5-14(22)6-4-13/h2-11H,1H3/b19-11-
InChIKey
ZSDMNPPEFCYRFQ-ODLFYWEKSA-N
Synonyms
622366-71-6
((2Z)2((5METHYLFURAN2YL)METHYLIDENE)3OXO1BENZOFURAN6YL)4BROMOBENZOATE
(2Z)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6yl4bromobenzoate
(Z)2((5methylfuran2yl)methylene)3oxo23dihydrobenzofuran6yl4bromobenzoate
2((5METHYL(2FURYL))METHYLENE)3OXOBENZO(34B)FURAN6YL4BROMOBENZOATE
622366716
Brc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(o1)C)C2=O
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br
InChI=1SC21H13BrO5c1122715(2512)111920(23)179816(1018(17)2719)2621(24)133514(22)6413h211H1H3b1911
MFCD04161152
ZINC000002406215
ZINC02406215
ZINC2406215

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.