Vitas-M small molecule compound

2-nitro-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide

Catalog ID
STL527565
SMILES O=C(c1ccccc1[N+](=O)[O-])NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C20H19Cl3N4O4 MW 485.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl3N4O4/c21-20(22,23)19(24-18(29)14-4-1-2-5-16(14)27(30)31)25-9-12-8-13(11-25)15-6-3-7-17(28)26(15)10-12/h1-7,12-13,19H,8-11H2,(H,24,29)/t12-,13-,19?/m0/s1
InChIKey
VQDVFLSYKFJCOM-LOAJIVSNSA-N
Synonyms
956709-29-8
16397984
2nitro~(N)(222trichloro1((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)benzamide
2nitroN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)benzamide
2nitroN(222trichloro1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)benzamide
956709298
InChI=1SC20H19Cl3N4O4c2120(2223)19(2418(29)14412516(14)27(30)31)25912813(1125)1563717(28)26(15)1012h17121319H811H2(H2429)t121319?m0s1
MFCD03660017
O=C(c1ccccc1(N+)(=O)(O))NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ZINC000100749134
ZINC000100749135

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Available files

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