Vitas-M small molecule compound

methyl (6R,6aS)-3-nitro-10-oxo-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinoline-6-carboxylate

Catalog ID
STL535608
SMILES COC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-]

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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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-29-21(26)16-9-12-8-15(24(27)28)5-6-18(12)23-10-13-7-14(20(16)23)11-22-17(13)3-2-4-19(22)25/h2-6,8,13-14,16,20H,7,9-11H2,1H3/t13?,14?,16-,20+/m1/s1
InChIKey
KHRSDZOKKQCASB-VHCLKTQPSA-N
Synonyms

(6R6aS7R14R)methyl3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxylate
17571861
COC(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1(C@@H)1C(C@H)(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O)
InChI=1SC21H21N3O5c12921(26)16912815(24(27)28)5618(12)231013714(20(16)23)112217(13)32419(22)25h26813141620H7911H21H3t13?14?1620+m1s1
methyl(2~(S)3~(R))7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxylate
methyl(6R6aS)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxylate
MFCD09843513
ZINC000100789304

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Available files

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