Vitas-M small molecule compound
[5-bromo-1-(3,4-dimethoxybenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanedinitrile
Catalog ID
STK273127
SMILES N#CC(=C1C(=O)N(c2c1cc(Br)cc2)Cc1ccc(c(c1)OC)OC)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 C20H14BrN3O3 MW 424.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O3/c1-26-17-6-3-12(7-18(17)27-2)11-24-16-5-4-14(21)8-15(16)19(20(24)25)13(9-22)10-23/h3-8H,11H2,1-2H3InChIKey
UOMFFFACCXCTMH-UHFFFAOYSA-NSynonyms
(1((34DIMETHOXYPHENYL)METHYL)5BROMO2OXOBENZO(D)AZOLIN3YLIDENE)METHANE11DICARBONITRILE
(5bromo1(34dimethoxybenzyl)2oxo12dihydro3Hindol3ylidene)propanedinitrile
2(5BROMO1((34DIMETHOXYPHENYL)METHYL)2OXOINDOL3YLIDENE)PROPANEDINITRILE
COC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C(C#N)C#N)C2=O)OC
InChI=1SC20H14BrN3O3c126176312(718(17)272)1124165414(21)815(16)19(20(24)25)13(922)1023h38H11H212H3
MFCD05661860
ZINC000001320719
ZINC01320719
ZINC1320719
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