Vitas-M small molecule compound
(8S,8aR,11aS)-10-(2-methyl-4-nitrophenyl)-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
STK546754
SMILES Cc1cc(ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])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 C28H20N4O7 MW 524.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O7/c1-15-13-19(32(38)39)9-10-21(15)30-27(34)22-23(28(30)35)25(26(33)17-6-4-7-18(14-17)31(36)37)29-12-11-16-5-2-3-8-20(16)24(22)29/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
OPHQUYPJAKIGPB-NPZNXQLHSA-NSynonyms
1014059-07-4(8S8aR11aS)10(2methyl4nitrophenyl)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(2methyl4nitrophenyl)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014059074
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
Cc1cc(ccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2cccc(c2)(N+)(=O)(O))C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC28H20N4O7c1151319(32(38)39)91021(15)3027(34)2223(28(30)35)25(26(33)1764718(1417)31(36)37)29121116523820(16)24(22)29h2142225H1H3t2223+24?25m0s1
MFCD18242309
ZINC000100897874
ZINC000100897877
Check stock
See real-time availability and sample size for STK546754 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.