Vitas-M small molecule compound

2-hydroxy-7,7-dimethyl-1-(1-phenylethyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one

Catalog ID
STK932594
SMILES OC1=NC(C2=C(N1C(c1ccccc1)C)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F

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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 C20H20F6N2O2 MW 434.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F6N2O2/c1-11(12-7-5-4-6-8-12)28-13-9-17(2,3)10-14(29)15(13)18(19(21,22)23,20(24,25)26)27-16(28)30/h4-8,11H,9-10H2,1-3H3,(H,27,30)
InChIKey
RKESSTGBNYZSFV-UHFFFAOYSA-N
Synonyms
848209-03-0
2hydroxy77dimethyl1(1phenylethyl)44bis(trifluoromethyl)4678tetrahydroquinazolin5(1H)one
77DIMETHYL1(1PHENYLETHYL)44BIS(TRIFLUOROMETHYL)68DIHYDRO3HQUINAZOLINE25DIONE
848209030
CC(C1=CC=CC=C1)N2C3=C(C(=O)CC(C3)(C)C)C(NC2=O)(C(F)(F)F)C(F)(F)F
InChI=1SC20H20F6N2O2c111(127546812)2813917(23)1014(29)15(13)18(19(2122)2320(2425)26)2716(28)30h4811H910H213H3(H2730)
MFCD18177287
ZINC000002423686
ZINC000002423687

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Available files

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