Vitas-M small molecule compound

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

Catalog ID
STK775449
SMILES COC(=O)C1(N=C(OC(=N1)N1CCOCC1)c1cc(OC)c(c(c1)OC)OC)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 C19H22F3N3O7 MW 461.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N3O7/c1-27-12-9-11(10-13(28-2)14(12)29-3)15-23-18(16(26)30-4,19(20,21)22)24-17(32-15)25-5-7-31-8-6-25/h9-10H,5-8H2,1-4H3
InChIKey
HDXJRFJQOKMMEB-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC(=C1OC)OC)C2=NC(N=C(O2)N3CCOCC3)(C(=O)OC)C(F)(F)F
InChI=1SC19H22F3N3O7c12712911(1013(282)14(12)293)152318(16(26)30419(2021)22)2417(3215)2557318625h910H58H214H3
methyl2(morpholin4yl)4(trifluoromethyl)6(345trimethoxyphenyl)4H135oxadiazine4carboxylate
METHYL2MORPHOLIN4YL4(TRIFLUOROMETHYL)6(345TRIMETHOXYPHENYL)135OXADIAZINE4CARBOXYLATE
MFCD05257293
ZINC000012418595
ZINC000012418597

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Available files

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