Vitas-M small molecule compound
2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL007318
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1c(C)cccc1C)c1ccc(cc1Cl)Cl)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 C25H21Cl2N5O4 MW 526.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N5O4/c1-12-4-3-5-13(2)20(12)32-22(28-29-30-32)21(15-7-6-14(26)10-16(15)27)31-11-25-9-8-17(36-25)18(24(34)35)19(25)23(31)33/h3-10,17-19,21H,11H2,1-2H3,(H,34,35)InChIKey
NXKWLMKNJFUVHM-UHFFFAOYSA-NSynonyms
1052616-64-4(3aS6R)2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1052616644
2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=C(C=C(C=C3)Cl)Cl)N4CC56C=CC(O5)C(C6C4=O)C(=O)O
InChI=1SC25H21Cl2N5O4c11243513(2)20(12)3222(28293032)21(157614(26)1016(15)27)3111259817(3625)18(24(34)35)19(25)23(31)33h310171921H11H212H3(H3435)
MFCD07642179
ZINC000097957177
ZINC000245242235
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