Vitas-M small molecule compound

methyl 2-(4-chlorophenyl)-6-(morpholin-4-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

Catalog ID
STK763973
SMILES COC(=O)C1(N=C(OC(=N1)N1CCOCC1)c1ccc(cc1)Cl)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 C16H15ClF3N3O4 MW 405.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClF3N3O4/c1-25-13(24)15(16(18,19)20)21-12(10-2-4-11(17)5-3-10)27-14(22-15)23-6-8-26-9-7-23/h2-5H,6-9H2,1H3
InChIKey
AKOIHZGGBPWEKS-UHFFFAOYSA-N
Synonyms

COC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CC=C(C=C3)Cl)C(F)(F)F
InChI=1SC16H15ClF3N3O4c12513(24)15(16(1819)20)2112(102411(17)5310)2714(2215)2368269723h25H69H21H3
methyl2(4chlorophenyl)6(morpholin4yl)4(trifluoromethyl)4H135oxadiazine4carboxylate
METHYL2(4CHLOROPHENYL)6MORPHOLIN4YL4(TRIFLUOROMETHYL)135OXADIAZINE4CARBOXYLATE
methyl2(4chlorophenyl)6morpholino4(trifluoromethyl)4H135oxadiazine4carboxylate
MFCD02324955
ZINC000002301045
ZINC000002301046

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.