Vitas-M small molecule compound

N-[2-hydroxy-1-(4-methoxybenzyl)-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

Catalog ID
STK592398
SMILES COc1ccc(cc1)Cn1c(O)nc(=O)c2c1NC(=O)C2(NC(=O)C)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 C17H15F3N4O5 MW 412.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N4O5/c1-8(25)23-16(17(18,19)20)11-12(21-14(16)27)24(15(28)22-13(11)26)7-9-3-5-10(29-2)6-4-9/h3-6H,7H2,1-2H3,(H,21,27)(H,23,25)(H,22,26,28)
InChIKey
IBIIQYWEBDLDER-UHFFFAOYSA-N
Synonyms
879448-01-8
879448018
CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=C(C=C3)OC)C(F)(F)F
InChI=1SC17H15F3N4O5c18(25)2316(17(1819)20)1112(2114(16)27)24(15(28)2213(11)26)793510(292)649h36H7H212H3(H2127)(H2325)(H222628)
MFCD07201805
N(1((4METHOXYPHENYL)METHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)ACETAMIDE
N(2hydroxy1(4methoxybenzyl)46dioxo5(trifluoromethyl)4567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)acetamide
ZINC000101316599
ZINC000101316601

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Available files

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