Vitas-M small molecule compound

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

Catalog ID
STK923686
SMILES CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(cc1)C(C)C)/C3=O)c(o2)c1ccccc1

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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/c1-4-38-25-15-17-29-28(19-25)32(34(41-29)24-8-6-5-7-9-24)35(37)39-26-14-16-27-30(20-26)40-31(33(27)36)18-22-10-12-23(13-11-22)21(2)3/h5-21H,4H2,1-3H3/b31-18-
InChIKey
BNWZLVGWQUEOHQ-MNBJERMJSA-N
Synonyms
858758-17-5
((2Z)3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)1BENZOFURAN6YL)5ETHOXY2PHENYL1BENZOFURAN3CARBOXYLATE
(2Z)3oxo2(4(propan2yl)benzylidene)23dihydro1benzofuran6yl5ethoxy2phenyl1benzofuran3carboxylate
(Z)2(4isopropylbenzylidene)3oxo23dihydrobenzofuran6yl5ethoxy2phenylbenzofuran3carboxylate
2((4(METHYLETHYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL5ETHOXY2PHENYLBENZO(B)FURAN3CARBOXYLATE
858758175
CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=C(C=C5)C(C)C)O4)C6=CC=CC=C6
CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)OC(=Cc1ccc(cc1)C(C)C)C3=O)c(o2)c1ccccc1
InChI=1SC35H28O6c14382515172928(1925)32(34(4129)248657924)35(37)392614162730(2026)4031(33(27)36)1822101223(131122)21(2)3h521H4H213H3b3118
MFCD04142609
ZINC000070680956
ZINC70680956

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Available files

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