Vitas-M small molecule compound
2-{1-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK575595
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C1(CCCCC1)c1nnnn1c1c(C)cccc1C)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 C24H27N5O4 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4/c1-14-7-6-8-15(2)19(14)29-22(25-26-27-29)23(10-4-3-5-11-23)28-13-24-12-9-16(33-24)17(21(31)32)18(24)20(28)30/h6-9,12,16-18H,3-5,10-11,13H2,1-2H3,(H,31,32)InChIKey
KONMQGRNBLAWEG-UHFFFAOYSA-NSynonyms
1052616-81-5(3aS6R)2(1(1(26dimethylphenyl)1Htetrazol5yl)cyclohexyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1052616815
2(1(1(26dimethylphenyl)1Htetrazol5yl)cyclohexyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3(CCCCC3)N4CC56C=CC(O5)C(C6C4=O)C(=O)O
InChI=1SC24H27N5O4c11476815(2)19(14)2922(25262729)23(104351123)28132412916(3324)17(21(31)32)18(24)20(28)30h69121618H35101113H212H3(H3132)
MFCD08285172
ZINC000009130632
ZINC000102790956
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