Vitas-M small molecule compound

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

Catalog ID
STK770808
SMILES COC(=O)C1(N=C(OC(=N1)c1ccc(cc1Cl)Cl)N1CCCCC1)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 C17H16Cl2F3N3O3 MW 438.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Cl2F3N3O3/c1-27-14(26)16(17(20,21)22)23-13(11-6-5-10(18)9-12(11)19)28-15(24-16)25-7-3-2-4-8-25/h5-6,9H,2-4,7-8H2,1H3
InChIKey
DIBYYUDCUWPQTE-UHFFFAOYSA-N
Synonyms
489433-18-3
2(24DICHLOROPHENYL)6PIPERIDIN1YL4TRIFLUOROMETHYL4H(135)OXADIAZINE4CARBOXYLICACIDMETHYLESTER
489433183
COC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F
InChI=1SC17H16Cl2F3N3O3c12714(26)16(17(2021)22)2313(116510(18)912(11)19)2815(2416)257324825h569H2478H21H3
METHYL2(24DICHLOROPHENYL)6(1PIPERIDINYL)4(TRIFLUOROMETHYL)4H135OXADIAZINE4CARBOXYLATE
methyl2(24dichlorophenyl)6(piperidin1yl)4(trifluoromethyl)4H135oxadiazine4carboxylate
METHYL2(24DICHLOROPHENYL)6PIPERIDIN1YL4(TRIFLUOROMETHYL)135OXADIAZINE4CARBOXYLATE
MFCD03067329
ZINC000002343614
ZINC000002343615

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Available files

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