Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(3-chloro-4-fluorophenyl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK557651
SMILES O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)C=Cc1c2cccc1)c1cccc(c1)[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 C27H17ClFN3O5 MW 517.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClFN3O5/c28-18-13-16(9-10-19(18)29)30-26(34)22-21-11-8-14-4-1-2-7-20(14)31(21)24(23(22)27(30)35)25(33)15-5-3-6-17(12-15)32(36)37/h1-13,21-24H/t21-,22-,23-,24+/m1/s1InChIKey
CUVMCQWZQGOKDL-YCAMKHIRSA-NSynonyms
1013782-30-3(6aR6bS9aR10S)8(3chloro4fluorophenyl)10((3nitrophenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(3chloro4fluorophenyl)10(3nitrobenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1013782303
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC27H17ClFN3O5c28181316(91019(18)29)3026(34)222111814412720(14)31(21)24(23(22)27(30)35)25(33)1553617(1215)32(36)37h1132124Ht21222324+m1s1
MFCD18243020
O=C((C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)C=Cc1c2cccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000101076808
ZINC101076808
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.