Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-[(4-methoxyphenyl)carbonyl]-8-(2-methyl-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK539272
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C=Cc1c2cccc1
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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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-16-7-11-19(32(36)37)15-23(16)31-28(34)24-22-14-10-17-5-3-4-6-21(17)30(22)26(25(24)29(31)35)27(33)18-8-12-20(38-2)13-9-18/h3-15,22,24-26H,1-2H3/t22-,24-,25-,26+/m0/s1InChIKey
LSPPNXQHQXAJBH-ZCLKUGBOSA-NSynonyms
448191-98-8(6aS6bR9aS10R)10((4methoxyphenyl)carbonyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(4methoxybenzoyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
448191988
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)C(=O)(C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1cc(ccc1C)(N+)(=O)(O))C=Cc1c2cccc1
InChI=1SC29H23N3O6c11671119(32(36)37)1523(16)3128(34)2422141017534621(17)30(22)26(25(24)29(31)35)27(33)1881220(382)13918h315222426H12H3t22242526+m0s1
MFCD18241751
ZINC000100817907
ZINC100817907
Check stock
See real-time availability and sample size for STK539272 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.