Vitas-M small molecule compound
ethyl 6-(azepan-1-ylmethyl)-4-(3,4-difluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107575
SMILES CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccc(c(c1)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 C20H25F2N3O3 MW 393.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25F2N3O3/c1-2-28-19(26)17-16(12-25-9-5-3-4-6-10-25)23-20(27)24-18(17)13-7-8-14(21)15(22)11-13/h7-8,11,18H,2-6,9-10,12H2,1H3,(H2,23,24,27)InChIKey
AADWUNQVSABABU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)F)F)CN3CCCCCC3
ethyl6(azepan1ylmethyl)4(34difluorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6(azepan1ylmethyl)4(34difluorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC20H25F2N3O3c122819(26)1716(1225953461025)2320(27)2418(17)137814(21)15(22)1113h781118H2691012H21H3(H2232427)
MFCD20741511
ZINC000067285973
ZINC000067285976
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