Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908610
SMILES N#CC1=C(C)/C(=C/c2cn(nc2c2ccccc2)c2ccccc2)/C(=O)N(C1=O)CCc1ccc(c(c1)OC)OC
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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 C33H28N4O4 MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N4O4/c1-22-27(19-25-21-37(26-12-8-5-9-13-26)35-31(25)24-10-6-4-7-11-24)32(38)36(33(39)28(22)20-34)17-16-23-14-15-29(40-2)30(18-23)41-3/h4-15,18-19,21H,16-17H2,1-3H3/b27-19-InChIKey
KIXGYZZJQFHEOZ-DIBXZPPDSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)5((13diphenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(2(34dimethoxyphenyl)ethyl)5((13diphenylpyrazol4yl)methylidene)4methyl26dioxopyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC(=C(C=C5)OC)OC)C#N
InChI=1SC33H28N4O4c12227(19252137(26128591326)3531(25)24106471124)32(38)36(33(39)28(22)2034)171623141529(402)30(1823)413h415181921H1617H213H3b2719
MFCD06647959
N#CC1=C(C)C(=Cc2cn(nc2c2ccccc2)c2ccccc2)C(=O)N(C1=O)CCc1ccc(c(c1)OC)OC
ZINC000097946882
ZINC97946882
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