Vitas-M small molecule compound

2-{(4-methoxyphenyl)[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK691462
SMILES COc1ccc(cc1)C(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)c1nnnn1c1ccc(cc1)OC

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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 C25H23N5O6 MW 489.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O6/c1-34-16-7-3-14(4-8-16)21(22-26-27-28-30(22)15-5-9-17(35-2)10-6-15)29-13-25-12-11-18(36-25)19(24(32)33)20(25)23(29)31/h3-12,18-21H,13H2,1-2H3,(H,32,33)
InChIKey
PVGNDPBTWWLNIV-UHFFFAOYSA-N
Synonyms

2((4methoxyphenyl)(1(4methoxyphenyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
COC1=CC=C(C=C1)C(C2=NN=NN2C3=CC=C(C=C3)OC)N4CC56C=CC(O5)C(C6C4=O)C(=O)O
InChI=1SC25H23N5O6c134167314(4816)21(2226272830(22)155917(352)10615)291325121118(3625)19(24(32)33)20(25)23(29)31h3121821H13H212H3(H3233)
MFCD09064476
ZINC000012420461
ZINC000245256373

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Available files

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