Vitas-M small molecule compound
N-[1-benzyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
Catalog ID
STL044072
SMILES O=C(C1CCCCC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)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 C21H21F3N4O4 MW 450.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N4O4/c22-21(23,24)20(27-16(29)13-9-5-2-6-10-13)14-15(25-18(20)31)28(19(32)26-17(14)30)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,25,31)(H,27,29)(H,26,30,32)InChIKey
BMLPETBEZSXYHD-UHFFFAOYSA-NSynonyms
524717-06-4524717064
C1CCC(CC1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CC=CC=C4)C(F)(F)F
InChI=1SC21H21F3N4O4c2221(2324)20(2716(29)1395261013)1415(2518(20)31)28(19(32)2617(14)30)11127314812h1347813H256911H2(H2531)(H2729)(H263032)
MFCD04074504
N(1BENZYL246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)CYCLOHEXANECARBOXAMIDE
N(1benzyl4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)cyclohexanecarboxamide
ZINC000001840639
ZINC000001840640
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