Vitas-M small molecule compound
N-[1-tert-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide
Catalog ID
STK771278
SMILES O=C(NC1(C(=O)Nc2c1c(=O)[nH]c(=O)n2C(C)(C)C)C(F)(F)F)CCC1CCCCC1
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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 C20H27F3N4O4 MW 444.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27F3N4O4/c1-18(2,3)27-14-13(15(29)25-17(27)31)19(16(30)24-14,20(21,22)23)26-12(28)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,24,30)(H,26,28)(H,25,29,31)InChIKey
DSKLPVYQCXSETG-UHFFFAOYSA-NSynonyms
CC(C)(C)N1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NC(=O)CCC3CCCCC3
InChI=1SC20H27F3N4O4c118(23)271413(15(29)2517(27)31)19(16(30)241420(2122)23)2612(28)109117546811h11H410H213H3(H2430)(H2628)(H252931)
MFCD03767277
N(1tertbutyl246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)3cyclohexylpropanamide
N(1TERTBUTYL246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)3CYCLOHEXYLPROPANAMIDE
O=C(NC1(C(=O)Nc2c1c(=O)(nH)c(=O)n2C(C)(C)C)C(F)(F)F)CCC1CCCCC1
ZINC000002491977
ZINC000002491979
Check stock
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Check stock on Vitas-MAvailable files
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