Vitas-M small molecule compound

7-benzyl-1-(furan-2-ylmethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

Catalog ID
STL045812
SMILES Oc1nc(=O)n(c2c1C(N=C(N2)Cc1ccccc1)(C(F)(F)F)C(F)(F)F)Cc1ccco1

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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 C20H14F6N4O3 MW 472.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F6N4O3/c21-19(22,23)18(20(24,25)26)14-15(27-13(29-18)9-11-5-2-1-3-6-11)30(17(32)28-16(14)31)10-12-7-4-8-33-12/h1-8H,9-10H2,(H,27,29)(H,28,31,32)
InChIKey
PFPHPSQWATWQCI-UHFFFAOYSA-N
Synonyms
524716-44-7
524716447
7benzyl1(furan2ylmethyl)4hydroxy55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidin2(1H)one
7BENZYL1(FURAN2YLMETHYL)55BIS(TRIFLUOROMETHYL)58DIHYDROPYRIMIDO(45D)PYRIMIDINE24(1H3H)DIONE
7BENZYL1(FURAN2YLMETHYL)55BIS(TRIFLUOROMETHYL)8HPYRIMIDO(45D)PYRIMIDINE24DIONE
7BENZYL1FURAN2YLMETHYL55BISTRIFLUOROMETHYL58DIHYDRO1HPYRIMIDO(45D)PYRIMIDINE24DIONE
C1=CC=C(C=C1)CC2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CO4)(C(F)(F)F)C(F)(F)F
InChI=1SC20H14F6N4O3c2119(2223)18(20(2425)26)1415(2713(2918)9115213611)30(17(32)2816(14)31)10127483312h18H910H2(H2729)(H283132)
MFCD04080190
ZINC000008672660
ZINC08672660
ZINC8672660

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Available files

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