Vitas-M small molecule compound
(6R,6aS)-N-methyl-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
STL579239
SMILES O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])N(C[C@@H]1CCCN2[C@@H]1CCCC2)C
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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 C31H39N5O4 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O4/c1-32(17-20-6-5-13-33-12-3-2-7-26(20)33)31(38)25-16-21-15-24(36(39)40)10-11-28(21)35-18-22-14-23(30(25)35)19-34-27(22)8-4-9-29(34)37/h4,8-11,15,20,22-23,25-26,30H,2-3,5-7,12-14,16-19H2,1H3/t20-,22?,23?,25+,26+,30-/m0/s1InChIKey
VFJNERZXAIGPJC-SACNGUMNSA-NSynonyms
(6R6aS)Nmethyl3nitroN(((1S9aR)octahydro1Hquinolizin1yl)methyl)10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)Nmethyl3nitroN((1S9aR)octahydro2Hquinolizin1ylmethyl)10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
InChI=1SC31H39N5O4c132(17206513331232726(20)33)31(38)2516211524(36(39)40)101128(21)3518221423(30(25)35)193427(22)84929(34)37h481115202223252630H235712141619H21H3t2022?23?25+26+30m0s1
MFCD33397574
O=C((C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))N(C(C@@H)1CCCN2(C@@H)1CCCC2)C
Check stock
See real-time availability and sample size for STL579239 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.