Vitas-M small molecule compound

8-{[(2,4-dichlorophenyl)carbonyl]oxy}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinium-4-carboxylate

Catalog ID
STL044389
SMILES [O-]C(=O)C1[NH2+]c2ccc(cc2C2C1CC=C2)OC(=O)c1ccc(cc1Cl)Cl

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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 C20H15Cl2NO4 MW 404.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2NO4/c21-10-4-6-14(16(22)8-10)20(26)27-11-5-7-17-15(9-11)12-2-1-3-13(12)18(23-17)19(24)25/h1-2,4-9,12-13,18,23H,3H2,(H,24,25)
InChIKey
PREIJVXDCSNASS-UHFFFAOYSA-N
Synonyms
1008008-24-9
(3AR4R9BS)8((24DICHLOROBENZOYL)OXY)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE4CARBOXYLICACID
(O)C(=O)C1(NH2+)c2ccc(cc2C2C1CC=C2)OC(=O)c1ccc(cc1Cl)Cl
1008008249
8(((24dichlorophenyl)carbonyl)oxy)3a459btetrahydro3Hcyclopenta(c)quinolinium4carboxylate
8((24DICHLOROPHENYL)OXOMETHOXY)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE4CARBOXYLICACID
8(24DICHLOROBENZOYL)OXY3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN5IUM4CARBOXYLATE
8(24DICHLOROBENZOYL)OXY3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE4CARBOXYLICACID
8(24DICHLOROPHENYL)CARBONYLOXY3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE4CARBOXYLICACID
C1C=CC2C1C((NH2+)C3=C2C=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)(O)
InChI=1SC20H15Cl2NO4c21104614(16(22)810)20(26)2711571715(911)1221313(12)18(2317)19(24)25h124912131823H3H2(H2425)
MFCD03676253
ZINC000002587039
ZINC000013661332

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Available files

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