Vitas-M small molecule compound
2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl](phenyl)methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL349748
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1c(C)cccc1C)c1ccccc1)O2
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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 C25H23N5O4 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4/c1-14-7-6-8-15(2)20(14)30-22(26-27-28-30)21(16-9-4-3-5-10-16)29-13-25-12-11-17(34-25)18(24(32)33)19(25)23(29)31/h3-12,17-19,21H,13H2,1-2H3,(H,32,33)InChIKey
GDNWOYJJJWTRJJ-UHFFFAOYSA-NSynonyms
1052615-19-6(3aS6R)2((1(26dimethylphenyl)1Htetrazol5yl)(phenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1052615196
2((1(26dimethylphenyl)1Htetrazol5yl)(phenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC=CC=C3)N4CC56C=CC(O5)C(C6C4=O)C(=O)O
InChI=1SC25H23N5O4c11476815(2)20(14)3022(26272830)21(1694351016)291325121117(3425)18(24(32)33)19(25)23(29)31h312171921H13H212H3(H3233)
MFCD07640640
ZINC000035808700
ZINC000245309765
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