Vitas-M small molecule compound
(8S,8aR,11aS)-10-(1,3-benzodioxol-5-yl)-8-[(4-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL052085
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)c1ccc(cc1)[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 C28H19N3O7 MW 509.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O7/c32-26(16-5-7-17(8-6-16)31(35)36)25-23-22(24-19-4-2-1-3-15(19)11-12-29(24)25)27(33)30(28(23)34)18-9-10-20-21(13-18)38-14-37-20/h1-13,22-25H,14H2/t22-,23+,24?,25-/m0/s1InChIKey
GYQKRLLXCBXWLS-NPZNXQLHSA-NSynonyms
1013870-23-9(8S8aR11aS)10(13benzodioxol5yl)8((4nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(4nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013870239
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC28H19N3O7c3226(165717(8616)31(35)36)252322(2419421315(19)111229(24)25)27(33)30(28(23)34)189102021(1318)38143720h1132225H14H2t2223+24?25m0s1
MFCD18249439
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)c1ccc(cc1)(N+)(=O)(O)
ZINC000101253831
ZINC000101253835
Check stock
See real-time availability and sample size for STL052085 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.