Vitas-M small molecule compound

ethyl 2-(morpholin-4-yl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-4H-1,3,5-oxadiazine-4-carboxylate

Catalog ID
STK529798
SMILES CCOC(=O)C1(N=C(OC(=N1)c1cccc(c1)C(F)(F)F)N1CCOCC1)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 C18H17F6N3O4 MW 453.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F6N3O4/c1-2-30-14(28)16(18(22,23)24)25-13(11-4-3-5-12(10-11)17(19,20)21)31-15(26-16)27-6-8-29-9-7-27/h3-5,10H,2,6-9H2,1H3
InChIKey
MCIBQDAAZVELAE-UHFFFAOYSA-N
Synonyms
368837-58-5
368837585
CCOC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CC(=CC=C3)C(F)(F)F)C(F)(F)F
ETHYL(4R)2(MORPHOLIN4YL)4(TRIFLUOROMETHYL)6(3(TRIFLUOROMETHYL)PHENYL)4H135OXADIAZINE4CARBOXYLATE
ethyl2(morpholin4yl)4(trifluoromethyl)6(3(trifluoromethyl)phenyl)4H135oxadiazine4carboxylate
ETHYL2MORPHOLIN4YL4(TRIFLUOROMETHYL)6(3(TRIFLUOROMETHYL)PHENYL)135OXADIAZINE4CARBOXYLATE
ETHYL2MORPHOLIN4YL4(TRIFLUOROMETHYL)6(3(TRIFLUOROMETHYL)PHENYL)4H135OXADIAZINE4CARBOXYLATE
ethyl2morpholino4(trifluoromethyl)6(3(trifluoromethyl)phenyl)4H135oxadiazine4carboxylate
InChI=1SC18H17F6N3O4c123014(28)16(18(2223)24)2513(1143512(1011)17(1920)21)3115(2616)2768299727h3510H269H21H3
MFCD01554153
ZINC000002257409
ZINC000002257410

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Available files

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