Vitas-M small molecule compound
N-{7-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-methylbutanamide
Catalog ID
STL042358
SMILES COc1cc(CCN2c3[nH]c(=O)nc(c3C(C2=O)(NC(=O)CC(C)C)C(F)(F)F)O)ccc1OC
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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 C22H25F3N4O6 MW 498.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F3N4O6/c1-11(2)9-15(30)28-21(22(23,24)25)16-17(26-20(33)27-18(16)31)29(19(21)32)8-7-12-5-6-13(34-3)14(10-12)35-4/h5-6,10-11H,7-9H2,1-4H3,(H,28,30)(H2,26,27,31,33)InChIKey
SIEKGBMOXFHRTD-UHFFFAOYSA-NSynonyms
714207-31-5714207315
CC(C)CC(=O)NC1(C2=C(NC(=O)NC2=O)N(C1=O)CCC3=CC(=C(C=C3)OC)OC)C(F)(F)F
COc1cc(CCN2c3(nH)c(=O)nc(c3C(C2=O)(NC(=O)CC(C)C)C(F)(F)F)O)ccc1OC
InChI=1SC22H25F3N4O6c111(2)915(30)2821(22(2324)25)1617(2620(33)2718(16)31)29(19(21)32)87125613(343)14(1012)354h561011H79H214H3(H2830)(H226273133)
MFCD05731066
N(7(2(34DIMETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)1HPYRROLO(23D)PYRIMIDIN5YL)3METHYLBUTANAMIDE
N(7(2(34dimethoxyphenyl)ethyl)4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)3methylbutanamide
ZINC000001877177
ZINC000001877178
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