Vitas-M small molecule compound

(2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-yl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate

Catalog ID
STK923899
SMILES O=C(c1c(C)oc2c1cc(OCc1ccccc1)cc2)Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)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 C35H28O6 MW 544.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28O6/c1-21(2)25-11-9-23(10-12-25)17-32-34(36)28-15-13-27(19-31(28)41-32)40-35(37)33-22(3)39-30-16-14-26(18-29(30)33)38-20-24-7-5-4-6-8-24/h4-19,21H,20H2,1-3H3/b32-17-
InChIKey
LGPPIFVVBVMZED-KYHGBAKBSA-N
Synonyms
859137-23-8
((2Z)3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)1BENZOFURAN6YL)2METHYL5PHENYLMETHOXY1BENZOFURAN3CARBOXYLATE
(2Z)3oxo2(4(propan2yl)benzylidene)23dihydro1benzofuran6yl5(benzyloxy)2methyl1benzofuran3carboxylate
(Z)2(4isopropylbenzylidene)3oxo23dihydrobenzofuran6yl5(benzyloxy)2methylbenzofuran3carboxylate
2((4(METHYLETHYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYL5(PHENYLMETHOXY)BENZO(B)FURAN3CARBOXYLATE
859137238
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C(=O)OC4=CC5=C(C=C4)C(=O)C(=CC6=CC=C(C=C6)C(C)C)O5
InChI=1SC35H28O6c121(2)2511923(101225)173234(36)28151327(1931(28)4132)4035(37)3322(3)3930161426(1829(30)33)3820247546824h41921H20H213H3b3217
MFCD04146300
O=C(c1c(C)oc2c1cc(OCc1ccccc1)cc2)Oc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)C)C2=O
ZINC000070686880
ZINC70686880

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Available files

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