Vitas-M small molecule compound

methyl 2-{[(3-hydroxy-2-methyl-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-4,5-dimethoxybenzoate

Catalog ID
STK928122
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1(C)Oc2ccccc2N=C1O)OC

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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 C20H20N2O7 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O7/c1-20(18(24)21-12-7-5-6-8-14(12)29-20)19(25)22-13-10-16(27-3)15(26-2)9-11(13)17(23)28-4/h5-10H,1-4H3,(H,21,24)(H,22,25)
InChIKey
IVRFKDLIXMDCMW-UHFFFAOYSA-N
Synonyms
1190285-39-2
1190285392
CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC
InChI=1SC20H20N2O7c120(18(24)2112756814(12)2920)19(25)22131016(273)15(262)911(13)17(23)284h510H14H3(H2124)(H2225)
methyl2(((3hydroxy2methyl2H14benzoxazin2yl)carbonyl)amino)45dimethoxybenzoate
methyl45dimethoxy2((2methyl3oxo4H14benzoxazine2carbonyl)amino)benzoate
MFCD18176006
ZINC000036365338
ZINC000036365340

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Available files

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