Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK099036
SMILES N#CC1=C(N)OC2=C(C1c1cn(nc1C13CC4CC(C3)CC(C1)C4)c1ccccc1)C(=O)CC(C2)(C)C
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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 C31H34N4O2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O2/c1-30(2)14-24(36)27-25(15-30)37-29(33)22(16-32)26(27)23-17-35(21-6-4-3-5-7-21)34-28(23)31-11-18-8-19(12-31)10-20(9-18)13-31/h3-7,17-20,26H,8-15,33H2,1-2H3InChIKey
FBPIFZVLONKYQF-UHFFFAOYSA-NSynonyms
312309-56-12amino77dimethyl5oxo4(1phenyl3(tricyclo(3311~37~)dec1yl)1Hpyrazol4yl)5678tetrahydro4Hchromene3carbonitrile
312309561
4(3((3r5r7r)adamantan1yl)1phenyl1Hpyrazol4yl)2amino77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
4(3(1ADAMANTYL)1PHENYLPYRAZOL4YL)2AMINO77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C(=O)C1)C
InChI=1SC31H34N4O2c130(2)1424(36)2725(1530)3729(33)22(1632)26(27)231735(216435721)3428(23)311118819(1231)1020(918)1331h37172026H81533H212H3
MFCD01835741
N#CC1=C(N)OC2=C(C1c1cn(nc1C13CC4CC(C3)CC(C1)C4)c1ccccc1)C(=O)CC(C2)(C)C
STK099036
ZINC000008721073
ZINC000008721074
Check stock
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Check stock on Vitas-MAvailable files
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