Vitas-M small molecule compound
N-{2-[2-(butylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl}-3-cyclohexylpropanamide
Catalog ID
STK690922
SMILES CCCCNC1=C(C(=O)CC(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCC1CCCCC1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H36F6N2O2 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36F6N2O2/c1-4-5-13-31-17-14-21(2,3)15-18(33)20(17)22(23(25,26)27,24(28,29)30)32-19(34)12-11-16-9-7-6-8-10-16/h16,31H,4-15H2,1-3H3,(H,32,34)InChIKey
LIWLBKQLACBCIB-UHFFFAOYSA-NSynonyms
CCCCNC1=C(C(=O)CC(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCC2CCCCC2
InChI=1SC24H36F6N2O2c1451331171421(23)1518(33)20(17)22(23(2526)2724(2829)30)3219(34)12111697681016h1631H415H213H3(H3234)
MFCD09064100
N(2(2(butylamino)44dimethyl6oxocyclohex1en1yl)111333hexafluoropropan2yl)3cyclohexylpropanamide
N(2(2(butylamino)44dimethyl6oxocyclohexen1yl)111333hexafluoropropan2yl)3cyclohexylpropanamide
ZINC000012420167
ZINC12420167
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