Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-acetylphenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK546327
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1cccc(c1)[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 C29H21N3O6 MW 507.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O6/c1-16(33)17-9-11-20(12-10-17)31-28(35)23-24(29(31)36)26(27(34)19-6-4-7-21(15-19)32(37)38)30-14-13-18-5-2-3-8-22(18)25(23)30/h2-15,23-26H,1H3/t23-,24+,25?,26-/m0/s1InChIKey
VEJLLEOZYHEJOX-HLMSNRGBSA-NSynonyms
1014060-73-1(8S8aR11aS)10(4acetylphenyl)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(4acetylphenyl)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014060731
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC29H21N3O6c116(33)1791120(121017)3128(35)2324(29(31)36)26(27(34)1964721(1519)32(37)38)30141318523822(18)25(23)30h2152326H1H3t2324+25?26m0s1
MFCD18242282
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1cccc(c1)(N+)(=O)(O)
ZINC000016038080
ZINC000100903409
Check stock
See real-time availability and sample size for STK546327 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.