Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-(4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK540221
SMILES Brc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)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 C27H17BrClN3O5 MW 578.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17BrClN3O5/c28-16-5-1-15(2-6-16)25(33)24-23-22(20-12-4-14-3-7-17(29)13-21(14)31(20)24)26(34)30(27(23)35)18-8-10-19(11-9-18)32(36)37/h1-13,20,22-24H/t20-,22-,23-,24+/m1/s1InChIKey
PVQXMHMJFXHCEH-BUZMGHMJSA-NSynonyms
(6aR6bS9aR10S)10((4bromophenyl)carbonyl)2chloro8(4nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(4bromobenzoyl)2chloro8(4nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
Brc1ccc(cc1)C(=O)(C@@H)1(C@H)2(C@@H)((C@@H)3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
C1=CC2=C(C=C(C=C2)Cl)N3C1C4C(C3C(=O)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H17BrClN3O5c28165115(2616)25(33)242322(20124143717(29)1321(14)31(20)24)26(34)30(27(23)35)1881019(11918)32(36)37h113202224Ht20222324+m1s1
MFCD18241813
ZINC000101064427
ZINC101064427
Check stock
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Check stock on Vitas-MAvailable files
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