Vitas-M small molecule compound
8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL409908
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(c(c2)Br)OC)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 C29H22BrN3O7 MW 604.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN3O7/c1-39-21-9-7-16(13-19(21)30)27(34)26-24-23(25-18-6-4-3-5-15(18)11-12-31(25)26)28(35)32(29(24)36)20-14-17(33(37)38)8-10-22(20)40-2/h3-14,23-26H,1-2H3InChIKey
WNPKSOSPCDSTCH-UHFFFAOYSA-NSynonyms
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8((3bromo4methoxyphenyl)carbonyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)Br
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(c(c2)Br)OC)C=Cc2c1cccc2)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(c(c2)Br)OC)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC29H22BrN3O7c139219716(1319(21)30)27(34)262423(2518643515(18)111231(25)26)28(35)32(29(24)36)201417(33(37)38)81022(20)402h3142326H12H3
MFCD04072636
ZINC000103562962
ZINC000103562978
Check stock
See real-time availability and sample size for STL409908 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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