Vitas-M small molecule compound

methyl 2-(dimethylamino)-7,7-dimethyl-5-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-carboxylate

Catalog ID
STK936421
SMILES COC(=O)C1(N=C(OC2=C1C(=O)CC(C2)(C)C)N(C)C)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 C15H19F3N2O4 MW 348.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19F3N2O4/c1-13(2)6-8(21)10-9(7-13)24-12(20(3)4)19-14(10,11(22)23-5)15(16,17)18/h6-7H2,1-5H3
InChIKey
VQYUYESBTVQVSX-UHFFFAOYSA-N
Synonyms
1219587-68-4
1219587684
CC1(CC2=C(C(=O)C1)C(N=C(O2)N(C)C)(C(=O)OC)C(F)(F)F)C
InChI=1SC15H19F3N2O4c113(2)68(21)109(713)2412(20(3)4)1914(1011(22)235)15(1617)18h67H215H3
methyl2(dimethylamino)77dimethyl5oxo4(trifluoromethyl)5678tetrahydro4H13benzoxazine4carboxylate
methyl2(dimethylamino)77dimethyl5oxo4(trifluoromethyl)5678tetrahydro4Hbenzo(e)(13)oxazine4carboxylate
methyl2(dimethylamino)77dimethyl5oxo4(trifluoromethyl)68dihydro13benzoxazine4carboxylate
MFCD16625402
ZINC000040284248
ZINC000040284250

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Available files

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