Vitas-M small molecule compound

1-acetyl-2-(5-bromo-2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK998430
SMILES COc1ccc(cc1C1C(C(=O)C)N2C(C1(C#N)C#N)C=Cc1c2cccc1)Br

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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 C23H18BrN3O2 MW 448.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O2/c1-14(28)22-21(17-11-16(24)8-9-19(17)29-2)23(12-25,13-26)20-10-7-15-5-3-4-6-18(15)27(20)22/h3-11,20-22H,1-2H3
InChIKey
VUSNCTCZOOUHEM-UHFFFAOYSA-N
Synonyms

(1S2R3aR)1acetyl2(5bromo2methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1acetyl2(5bromo2methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1ACETYL2(5BROMO2METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=C(C=CC(=C4)Br)OC
COc1ccc(cc1(C@@H)1(C@@H)(C(=O)C)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1)Br
InChI=1SC23H18BrN3O2c114(28)2221(171116(24)8919(17)292)23(12251326)2010715534618(15)27(20)22h3112022H12H3
MFCD18185350
ZINC000008448510
ZINC000034849579

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Available files

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