Vitas-M small molecule compound

ethyl (1S,3S,3aR)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK554205
SMILES CCOC(=O)[C@H]1C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)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 C22H20N2O5 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5/c1-2-29-22(26)17-13-20(21(25)15-7-5-8-16(12-15)24(27)28)23-18-9-4-3-6-14(18)10-11-19(17)23/h3-12,17,19-20H,2,13H2,1H3/t17-,19+,20-/m0/s1
InChIKey
IKFVSVFHVALILA-SXLOBPIMSA-N
Synonyms
1212487-37-0
(1S3S3aR)ethyl1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1212487370
CCOC(=O)(C@H)1C(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1CC(N2C1C=CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
ethyl(1S3S3aR)1((3nitrophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1S3S3aR)1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
InChI=1SC22H20N2O5c122922(26)171320(21(25)1575816(1215)24(27)28)2318943614(18)101119(17)23h312171920H213H21H3t1719+20m0s1
MFCD18242781
ZINC000005092904
ZINC05092904
ZINC5092904

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Available files

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