Vitas-M small molecule compound
10-(2-methyl-4-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
STL239439
SMILES Cc1cc(ccc1N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)N)[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 C22H18N4O5 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5/c1-11-10-13(26(30)31)6-7-15(11)25-21(28)16-17(22(25)29)19(20(23)27)24-9-8-12-4-2-3-5-14(12)18(16)24/h2-10,16-19H,1H3,(H2,23,27)InChIKey
AEDRUXHQYQPUDY-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(2methyl4nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(2methyl4nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)N
Cc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)N)(N+)(=O)(O)
Cc1cc(ccc1N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)N)(N+)(=O)(O)
InChI=1SC22H18N4O5c1111013(26(30)31)6715(11)2521(28)1617(22(25)29)19(20(23)27)249812423514(12)18(16)24h2101619H1H3(H22327)
MFCD04081963
ZINC000015996340
ZINC000248072321
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.