Vitas-M small molecule compound
1-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}octahydroquinolin-4(1H)-one
Catalog ID
STK306473
SMILES O=C1CCN(C2C1CCCC2)C(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1
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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 C23H22F2N4O2 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4O2/c24-21(25)19-12-17(14-6-2-1-3-7-14)27-22-16(13-26-29(19)22)23(31)28-11-10-20(30)15-8-4-5-9-18(15)28/h1-3,6-7,12-13,15,18,21H,4-5,8-11H2InChIKey
IKYNBGALNKNVEI-UHFFFAOYSA-NSynonyms
828279-89-61((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidin3yl)carbonyl)octahydroquinolin4(1H)one
1(7(difluoromethyl)5phenylpyrazolo(15a)pyrimidine3carbonyl)234a56788aoctahydroquinolin4one
828279896
C1CCC2C(C1)C(=O)CCN2C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5
InChI=1SC23H22F2N4O2c2421(25)191217(146213714)272216(132629(19)22)23(31)28111020(30)15845918(15)28h13671213151821H45811H2
MFCD04056352
ZINC000002790808
ZINC000002790811
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