Vitas-M small molecule compound
(6R,6aS)-N-(2-methoxyethyl)-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
STL579038
SMILES COCCN(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 C33H43N5O5 MW 589.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N5O5/c1-43-15-14-35(19-22-6-5-13-34-12-3-2-7-28(22)34)33(40)27-18-23-17-26(38(41)42)10-11-30(23)37-20-24-16-25(32(27)37)21-36-29(24)8-4-9-31(36)39/h4,8-11,17,22,24-25,27-28,32H,2-3,5-7,12-16,18-21H2,1H3/t22-,24?,25?,27+,28+,32-/m0/s1InChIKey
HDHJVXUULYQTGH-MFAJHQAGSA-NSynonyms
(6R6aS)N(2methoxyethyl)3nitroN(((1S9aR)octahydro1Hquinolizin1yl)methyl)10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N(2methoxyethyl)3nitroN((1S9aR)octahydro2Hquinolizin1ylmethyl)10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
COCCN(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
MFCD33397430
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