Vitas-M small molecule compound

(1S,2S,3aR)-1-acetyl-2-(3,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK061784
SMILES N#CC1(C#N)[C@H](c2cc(OC)cc(c2)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C

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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 C24H21N3O3 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3/c1-15(28)23-22(17-10-18(29-2)12-19(11-17)30-3)24(13-25,14-26)21-9-8-16-6-4-5-7-20(16)27(21)23/h4-12,21-23H,1-3H3/t21-,22-,23-/m1/s1
InChIKey
CRYWRILZWVNKGC-DNVJHFABSA-N
Synonyms
303959-57-1
(1S2S3AR)1ACETYL2(35DIMETHOXYPHENYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2S3AR)1ACETYL2(35DIMETHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
(1S2S3AR)1ACETYL2(35DIMETHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
1ACETYL2(35DIMETHOXYPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
303959571
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC(=C4)OC)OC
InChI=1SC24H21N3O3c115(28)2322(171018(292)1219(1117)303)24(13251426)219816645720(16)27(21)23h4122123H13H3t212223m1s1
N#CC1(C#N)(C@H)(c2cc(OC)cc(c2)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
STK061784
ZINC000004451160
ZINC04451160
ZINC4451160

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Available files

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