Vitas-M small molecule compound
(2E)-2-cyano-3-{1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK702679
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)/C(=O)NCC1CCCO1
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-19(2)34-24-12-10-20(11-13-24)26-22(18-31(30-26)23-7-4-3-5-8-23)15-21(16-28)27(32)29-17-25-9-6-14-33-25/h3-5,7-8,10-13,15,18-19,25H,6,9,14,17H2,1-2H3,(H,29,32)/b21-15+InChIKey
LIDOYWARVSDXAA-RCCKNPSSSA-NSynonyms
(2E)2cyano3(1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(E)2cyano3(3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)N((tetrahydrofuran2yl)methyl)acrylamide
(E)2CYANON(OXOLAN2YLMETHYL)3(1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)PROP2ENAMIDE
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4
InChI=1SC27H28N4O3c119(2)3424121020(111324)2622(1831(3026)237435823)1521(1628)27(32)29172596143325h3578101315181925H691417H212H3(H2932)b2115+
MFCD02985901
N#CC(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)C(=O)NCC1CCCO1
ZINC000001250108
ZINC000013785811
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