Vitas-M small molecule compound
10-[(4-bromophenyl)carbonyl]-2-chloro-8-(2-methoxy-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STL410116
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C(N1C2C=Cc2c1cc(cc2)Cl)C(=O)c1ccc(cc1)Br)[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 C28H19BrClN3O6 MW 608.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19BrClN3O6/c1-39-22-11-9-18(33(37)38)13-21(22)32-27(35)23-19-10-5-14-4-8-17(30)12-20(14)31(19)25(24(23)28(32)36)26(34)15-2-6-16(29)7-3-15/h2-13,19,23-25H,1H3InChIKey
LZDUQVIBVQDPDJ-UHFFFAOYSA-NSynonyms
(6aR6bS9aR10S)10(4bromobenzoyl)2chloro8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
10((4bromophenyl)carbonyl)2chloro8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=C(N4C(C3C2=O)C(=O)C6=CC=C(C=C6)Br)C=C(C=C5)Cl
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cc(cc2)Cl)C(=O)c1ccc(cc1)Br)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C(N1C2C=Cc2c1cc(cc2)Cl)C(=O)c1ccc(cc1)Br)(N+)(=O)(O)
InChI=1SC28H19BrClN3O6c1392211918(33(37)38)1321(22)3227(35)2319105144817(30)1220(14)31(19)25(24(23)28(32)36)26(34)152616(29)7315h213192325H1H3
MFCD04072001
ZINC000225217165
ZINC000248133730
Check stock
See real-time availability and sample size for STL410116 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.