Vitas-M small molecule compound
1-({1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazol-3-yl}carbonyl)octahydroquinolin-4(1H)-one
Catalog ID
STK308718
SMILES O=C1CCN(C2C1CCCC2)C(=O)c1ccn(n1)COc1cc(C)c(c(c1)C)Cl
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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 C22H26ClN3O3 MW 415.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O3/c1-14-11-16(12-15(2)21(14)23)29-13-25-9-7-18(24-25)22(28)26-10-8-20(27)17-5-3-4-6-19(17)26/h7,9,11-12,17,19H,3-6,8,10,13H2,1-2H3InChIKey
HZECTQMQBRZUQG-UHFFFAOYSA-NSynonyms
1005604-92-11((1((4chloro35dimethylphenoxy)methyl)1Hpyrazol3yl)carbonyl)octahydroquinolin4(1H)one
1(1((4chloro35dimethylphenoxy)methyl)pyrazole3carbonyl)234a56788aoctahydroquinolin4one
1005604921
CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)N3CCC(=O)C4C3CCCC4
InChI=1SC22H26ClN3O3c1141116(1215(2)21(14)23)2913259718(2425)22(28)2610820(27)17534619(17)26h7911121719H3681013H212H3
MFCD04132580
ZINC000002798011
ZINC000002798014
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