Vitas-M small molecule compound

{5-bromo-1-[2-methyl-5-(propan-2-yl)benzyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}propanedinitrile

Catalog ID
STK273124
SMILES N#CC(=C1C(=O)N(c2c1cc(Br)cc2)Cc1cc(ccc1C)C(C)C)C#N

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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 C22H18BrN3O MW 420.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O/c1-13(2)15-5-4-14(3)16(8-15)12-26-20-7-6-18(23)9-19(20)21(22(26)27)17(10-24)11-25/h4-9,13H,12H2,1-3H3
InChIKey
VQIPXROCTGETCB-UHFFFAOYSA-N
Synonyms

(5BROMO1((2METHYL5(METHYLETHYL)PHENYL)METHYL)2OXOBENZO(D)AZOLIN3YLIDENE)METHANE11DICARBONITRILE
(5bromo1(2methyl5(propan2yl)benzyl)2oxo12dihydro3Hindol3ylidene)propanedinitrile
2(5BROMO1((2METHYL5PROPAN2YLPHENYL)METHYL)2OXOINDOL3YLIDENE)PROPANEDINITRILE
CC1=C(C=C(C=C1)C(C)C)CN2C3=C(C=C(C=C3)Br)C(=C(C#N)C#N)C2=O
InChI=1SC22H18BrN3Oc113(2)155414(3)16(815)1226207618(23)919(20)21(22(26)27)17(1024)1125h4913H12H213H3
MFCD05661857
ZINC000001320716
ZINC01320716
ZINC1320716

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Available files

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