Vitas-M small molecule compound
ethyl 2-{8-[bis(4-methoxyphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzoate
Catalog ID
STL384099
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1/C(=C(/c3ccc(cc3)OC)\c3ccc(cc3)OC)/C2C=C1
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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 C33H29NO6 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29NO6/c1-4-40-33(37)23-7-5-6-8-26(23)34-31(35)29-24-17-18-25(30(29)32(34)36)28(24)27(19-9-13-21(38-2)14-10-19)20-11-15-22(39-3)16-12-20/h5-18,24-25,29-30H,4H2,1-3H3InChIKey
BTYVIFCMLUNHHK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)OC)c3ccc(cc3)OC)C2C=C1
ethyl2(8(bis(4methoxyphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
InChI=1SC33H29NO6c144033(37)23756826(23)3431(35)2924171825(30(29)32(34)36)28(24)27(1991321(382)141019)20111522(393)161220h51824252930H4H213H3
MFCD03785345
ZINC000103130414
ZINC000103130420
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