Vitas-M small molecule compound
N-[1-butyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
Catalog ID
STK630522
SMILES CCCCn1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1ccco1)C(F)(F)F)O
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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 C16H15F3N4O5 MW 400.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O5/c1-2-3-6-23-10-9(12(25)21-14(23)27)15(13(26)20-10,16(17,18)19)22-11(24)8-5-4-7-28-8/h4-5,7H,2-3,6H2,1H3,(H,20,26)(H,22,24)(H,21,25,27)InChIKey
LMRHTEBXGWNERQ-UHFFFAOYSA-NSynonyms
919721-21-4919721214
CCCCN1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NC(=O)C3=CC=CO3
InChI=1SC16H15F3N4O5c123623109(12(25)2114(23)27)15(13(26)201016(1718)19)2211(24)8547288h457H236H21H3(H2026)(H2224)(H212527)
MFCD09792077
N(1butyl246trioxo5(trifluoromethyl)7Hpyrrolo(23d)pyrimidin5yl)furan2carboxamide
N(1butyl4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)furan2carboxamide
ZINC000012411017
ZINC000012411019
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