Vitas-M small molecule compound

(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate

Catalog ID
STK656805
SMILES O=C(C(C)C)Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)c1ccccc1)/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 C25H20O4 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O4/c1-16(2)25(27)28-20-12-13-21-22(15-20)29-23(24(21)26)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,1-2H3/b23-14-
InChIKey
ZXZZPGIDEQSVKF-UCQKPKSFSA-N
Synonyms
622359-88-0
((2Z)3OXO2((4PHENYLPHENYL)METHYLIDENE)1BENZOFURAN6YL)2METHYLPROPANOATE
(2Z)2(biphenyl4ylmethylidene)3oxo23dihydro1benzofuran6yl2methylpropanoate
(Z)2((11biphenyl)4ylmethylene)3oxo23dihydrobenzofuran6ylisobutyrate
3OXO2((4PHENYLPHENYL)METHYLENE)BENZO(34B)FURAN6YL2METHYLPROPANOATE
622359880
CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)O2
InChI=1SC25H20O4c116(2)25(27)282012132122(1520)2923(24(21)26)141781019(11917)186435718h316H12H3b2314
MFCD04147119
O=C(C(C)C)Oc1ccc2c(c1)OC(=Cc1ccc(cc1)c1ccccc1)C2=O
ZINC000005825418
ZINC05825418
ZINC5825418

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Available files

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