Vitas-M small molecule compound
ethyl 4-[(2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl)carbonyl]piperazine-1-carboxylate
Catalog ID
STK568195
SMILES CCOC(=O)N1CCN(CC1)C(=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 C32H33Cl2N7O5 MW 666.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33Cl2N7O5/c1-4-45-31(44)39-14-12-38(13-15-39)29(42)24-23-10-11-32(46-23)17-40(30(43)25(24)32)27(21-9-8-20(33)16-22(21)34)28-35-36-37-41(28)26-18(2)6-5-7-19(26)3/h5-11,16,23-25,27H,4,12-15,17H2,1-3H3InChIKey
XXYCGVNNGXOORK-UHFFFAOYSA-NSynonyms
1024322-00-61024322006
CCOC(=O)N1CCN(CC1)C(=O)C2C3C=CC4(C2C(=O)N(C4)C(C5=C(C=C(C=C5)Cl)Cl)C6=NN=NN6C7=C(C=CC=C7C)C)O3
ethyl4((2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)piperazine1carboxylate
ethyl4((3aS6R)2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)1oxo123677ahexahydro3a6epoxyisoindole7carbonyl)piperazine1carboxylate
InChI=1SC32H33Cl2N7O5c144531(44)39141238(131539)29(42)2423101132(4623)1740(30(43)25(24)32)27(219820(33)1622(21)34)2835363741(28)2618(2)65719(26)3h51116232527H4121517H213H3
MFCD05731485
ZINC000226927327
ZINC000245242293
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