Vitas-M small molecule compound
2,2,2-trifluoroethyl (2E)-4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobut-2-enoate
Catalog ID
STK499561
SMILES COc1cc(NC(=O)/C=C/C(=O)OCC(F)(F)F)nc(n1)OC
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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 C12H12F3N3O5 MW 335.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12F3N3O5/c1-21-9-5-7(17-11(18-9)22-2)16-8(19)3-4-10(20)23-6-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17,18,19)/b4-3+InChIKey
UUNAKKSKLFFHSE-ONEGZZNKSA-NSynonyms
354548-63-3222trifluoroethyl(2E)4((26dimethoxypyrimidin4yl)amino)4oxobut2enoate
222TRIFLUOROETHYL(E)4((26DIMETHOXYPYRIMIDIN4YL)AMINO)4OXOBUT2ENOATE
354548633
COC1=NC(=NC(=C1)NC(=O)C=CC(=O)OCC(F)(F)F)OC
COc1cc(NC(=O)C=CC(=O)OCC(F)(F)F)nc(n1)OC
InChI=1SC12H12F3N3O5c121957(1711(189)222)168(19)3410(20)23612(1314)15h35H6H212H3(H16171819)b43+
MFCD01603578
ZINC000002095652
ZINC02095652
ZINC2095652
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