Vitas-M small molecule compound
2,5-dihydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
Catalog ID
STK597881
SMILES COc1ccccc1CCn1c(O)nc(=O)c2c1NC(=O)C2(O)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 C16H14F3N3O5 MW 385.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3O5/c1-27-9-5-3-2-4-8(9)6-7-22-11-10(12(23)21-14(22)25)15(26,13(24)20-11)16(17,18)19/h2-5,26H,6-7H2,1H3,(H,20,24)(H,21,23,25)InChIKey
NEMOFSXTUVNCIA-UHFFFAOYSA-NSynonyms
879437-78-225dihydroxy1(2(2methoxyphenyl)ethyl)5(trifluoromethyl)57dihydro1Hpyrrolo(23d)pyrimidine46dione
5HYDROXY1(2(2METHOXYPHENYL)ETHYL)5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDINE246TRIONE
879437782
COC1=CC=CC=C1CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)O
InChI=1SC16H14F3N3O5c127953248(9)67221110(12(23)2114(22)25)15(2613(24)2011)16(1718)19h2526H67H21H3(H2024)(H212325)
MFCD07199770
ZINC000101330304
ZINC000101330307
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