Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-methoxyphenyl)carbonyl]-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK545688
SMILES COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3
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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 C28H21N3O6 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O6/c1-37-20-11-9-17(10-12-20)26(32)25-23-22(24-21-8-3-2-5-16(21)13-14-29(24)25)27(33)30(28(23)34)18-6-4-7-19(15-18)31(35)36/h2-15,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
ARROASCPBJVBSE-NPZNXQLHSA-NSynonyms
956816-34-5(8S8aR11aS)8((4methoxyphenyl)carbonyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4methoxybenzoyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956816345
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))cccc3
InChI=1SC28H21N3O6c1372011917(101220)26(32)252322(2421832516(21)131429(24)25)27(33)30(28(23)34)1864719(1518)31(35)36h2152225H1H3t2223+24?25m0s1
MFCD18242230
ZINC000016037704
ZINC000043716731
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.