Vitas-M small molecule compound
(2Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-enamide
Catalog ID
STK467134
SMILES N#C/C(=C/c1ccc(c(c1)Cn1nc(cc1C)C)OC)/C(=O)Nc1ccc2c(c1)OCO2
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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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-15-8-16(2)28(27-15)13-19-10-17(4-6-21(19)30-3)9-18(12-25)24(29)26-20-5-7-22-23(11-20)32-14-31-22/h4-11H,13-14H2,1-3H3,(H,26,29)/b18-9-InChIKey
JTPBTRFLXVDIQI-NVMNQCDNSA-NSynonyms
(2Z)N(13benzodioxol5yl)2cyano3(3((35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)prop2enamide
(Z)N(13benzodioxol5yl)2cyano3(3((35dimethylpyrazol1yl)methyl)4methoxyphenyl)prop2enamide
CC1=CC(=NN1CC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCO4)OC)C
InChI=1SC24H22N4O4c115816(2)28(2715)13191017(4621(19)303)918(1225)24(29)2620572223(1120)32143122h411H1314H213H3(H2629)b189
MFCD06118923
N#CC(=Cc1ccc(c(c1)Cn1nc(cc1C)C)OC)C(=O)Nc1ccc2c(c1)OCO2
N(2HBENZO(D)13DIOXOLAN5YL)(2Z)3(3((35DIMETHYLPYRAZOLYL)METHYL)4METHOXYPHENYL)2CYANOPROP2ENAMIDE
ZINC000017096850
ZINC17096850
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