Vitas-M small molecule compound

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

Catalog ID
STK554183
SMILES N#C[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 C20H15N3O3 MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O3/c21-12-15-11-19(20(24)14-5-3-6-16(10-14)23(25)26)22-17-7-2-1-4-13(17)8-9-18(15)22/h1-10,15,18-19H,11H2/t15-,18-,19+/m1/s1
InChIKey
NNPCLIFHNIPTRX-LZQZEXGQSA-N
Synonyms
1214633-69-8
(1S3S3aR)1((3nitrophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carbonitrile
(1S3S3aR)1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carbonitrile
1214633698
C1C(C2C=CC3=CC=CC=C3N2C1C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC20H15N3O3c2112151119(20(24)1453616(1014)23(25)26)2217721413(17)8918(15)22h110151819H11H2t151819+m1s1
MFCD18242779
N#C(C@H)1C(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000005092861
ZINC05092861
ZINC5092861

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Available files

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