Vitas-M small molecule compound
5-(2-hydroxyethyl)-6-methyl-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one
Catalog ID
STL110426
SMILES OCCc1c(C)nc(n(c1=O)CC(=O)N1CCOc2c1cc(C)cc2)c1ccc(cc1)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 C25H24F3N3O4 MW 487.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24F3N3O4/c1-15-3-8-21-20(13-15)30(10-12-35-21)22(33)14-31-23(29-16(2)19(9-11-32)24(31)34)17-4-6-18(7-5-17)25(26,27)28/h3-8,13,32H,9-12,14H2,1-2H3InChIKey
RUFSWKLHXJKEAU-UHFFFAOYSA-NSynonyms
5(2hydroxyethyl)6methyl3(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)2(4(trifluoromethyl)phenyl)pyrimidin4one
5(2hydroxyethyl)6methyl3(2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)2(4(trifluoromethyl)phenyl)pyrimidin4(3H)one
CC1=CC2=C(C=C1)OCCN2C(=O)CN3C(=NC(=C(C3=O)CCO)C)C4=CC=C(C=C4)C(F)(F)F
InChI=1SC25H24F3N3O4c115382120(1315)30(10123521)22(33)143123(2916(2)19(91132)24(31)34)174618(7517)25(2627)28h381332H91214H212H3
MFCD20745274
ZINC000067301330
ZINC67301330
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