Vitas-M small molecule compound
N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Catalog ID
STK625739
SMILES O=C(c1ccccc1)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccccc1)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 C22H17F3N4O4 MW 458.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N4O4/c23-22(24,25)21(28-17(30)14-9-5-2-6-10-14)15-16(26-19(21)32)29(20(33)27-18(15)31)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,26,32)(H,28,30)(H,27,31,33)InChIKey
JUVGXJWYPYTOTH-UHFFFAOYSA-NSynonyms
924838-26-6924838266
C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4
InChI=1SC22H17F3N4O4c2322(2425)21(2817(30)1495261014)1516(2619(21)32)29(20(33)2718(15)31)1211137314813h110H1112H2(H2632)(H2830)(H273133)
MFCD09795172
N(246trioxo1(2phenylethyl)5(trifluoromethyl)7Hpyrrolo(23d)pyrimidin5yl)benzamide
N(4hydroxy26dioxo1(2phenylethyl)5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)benzamide
ZINC000012376352
ZINC000012376353
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