Vitas-M small molecule compound
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK587733
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1ccc(cc1)Cl)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 C23H18ClN5O4 MW 463.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O4/c24-14-6-8-15(9-7-14)29-20(25-26-27-29)19(13-4-2-1-3-5-13)28-12-23-11-10-16(33-23)17(22(31)32)18(23)21(28)30/h1-11,16-19H,12H2,(H,31,32)InChIKey
LFQWWRZEORDGBZ-UHFFFAOYSA-NSynonyms
1052616-63-3(3aS6R)2((1(4chlorophenyl)1Htetrazol5yl)(phenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1052616633
2((1(4chlorophenyl)1Htetrazol5yl)(phenyl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1C23C=CC(O2)C(C3C(=O)N1C(C4=CC=CC=C4)C5=NN=NN5C6=CC=C(C=C6)Cl)C(=O)O
InChI=1SC23H18ClN5O4c24146815(9714)2920(25262729)19(134213513)281223111016(3323)17(22(31)32)18(23)21(28)30h1111619H12H2(H3132)
MFCD08285747
ZINC000226926866
ZINC000245242223
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