Vitas-M small molecule compound
10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL233726
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)N)C=Cc2c1cccc2)[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 C22H18N4O6 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O6/c1-32-15-7-6-12(26(30)31)10-14(15)25-21(28)16-17(22(25)29)19(20(23)27)24-9-8-11-4-2-3-5-13(11)18(16)24/h2-10,16-19H,1H3,(H2,23,27)InChIKey
BFKGBFCJAUDESU-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(2methoxy5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(2methoxy5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)N
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)N)C=Cc2c1cccc2)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)N)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC22H18N4O6c132157612(26(30)31)1014(15)2521(28)1617(22(25)29)19(20(23)27)249811423513(11)18(16)24h2101619H1H3(H22327)
MFCD04074488
ZINC000013758124
ZINC000248116441
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.