Vitas-M small molecule compound
2-chloro-3-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]naphthalene-1,4-dione
Catalog ID
STL525855
SMILES O=C1C(=C(N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)c2c1cccc2)Cl
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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 C21H17ClN2O3 MW 380.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O3/c22-18-19(21(27)15-5-2-1-4-14(15)20(18)26)23-9-12-8-13(11-23)16-6-3-7-17(25)24(16)10-12/h1-7,12-13H,8-11H2/t12-,13+/m0/s1InChIKey
MVXIDXMBQSPIHU-QWHCGFSZSA-NSynonyms
121540771
2chloro3((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)naphthalene14dione
2chloro3((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)naphthalene14dione
2chloro3((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)naphthalene14dione
InChI=1SC21H17ClN2O3c221819(21(27)15521414(15)20(18)26)23912813(1123)1663717(25)24(16)1012h171213H811H2t1213+m0s1
MFCD02058868
O=C1C(=C(N2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)c2c1cccc2)Cl
ZINC000005948275
ZINC5948275
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