Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(2-methyl-4-nitrophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK538955
SMILES Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1)[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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-16-15-19(31(35)36)12-14-20(16)30-27(33)23-22-13-11-17-7-5-6-10-21(17)29(22)25(24(23)28(30)34)26(32)18-8-3-2-4-9-18/h2-15,22-25H,1H3/t22-,23-,24-,25+/m1/s1InChIKey
NZIIGMMMXFUKHO-VPBXCIAMSA-NSynonyms
956825-87-9(6aR6bS9aR10S)10benzoyl8(2methyl4nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(2methyl4nitrophenyl)10(phenylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956825879
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=CC=C6
Cc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC28H21N3O5c1161519(31(35)36)121420(16)3027(33)23221311177561021(17)29(22)25(24(23)28(30)34)26(32)188324918h2152225H1H3t22232425+m1s1
MFCD18241729
ZINC000009271841
ZINC09271841
ZINC9271841
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.