Vitas-M small molecule compound
(6R,6aS)-N-(3-methoxypropyl)-3-nitro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-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-carboxamide
Catalog ID
STL579017
SMILES COCCCN(C(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])C[C@@H]1CCCN2[C@@H]1CCCC2
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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 C34H45N5O5 MW 603.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N5O5/c1-44-16-6-15-36(20-23-7-5-14-35-13-3-2-8-29(23)35)34(41)28-19-24-18-27(39(42)43)11-12-31(24)38-21-25-17-26(33(28)38)22-37-30(25)9-4-10-32(37)40/h4,9-12,18,23,25-26,28-29,33H,2-3,5-8,13-17,19-22H2,1H3/t23-,25?,26?,28+,29+,33-/m0/s1InChIKey
OBJFXJAGLMVOCO-PMLUWQCUSA-NSynonyms
(6R6aS)N(3methoxypropyl)3nitroN(((1S9aR)octahydro1Hquinolizin1yl)methyl)10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N(3methoxypropyl)3nitroN((1S9aR)octahydro2Hquinolizin1ylmethyl)10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
COCCCN(C(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))C(C@@H)1CCCN2(C@@H)1CCCC2
MFCD33397415
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