Vitas-M small molecule compound

methyl N-{[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)amino](oxo)acetyl}-beta-alaninate

Catalog ID
STK938992
SMILES COC(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2

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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 C15H17N3O6 MW 335.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O6/c1-18-10-7-9(3-4-11(10)24-8-12(18)19)17-15(22)14(21)16-6-5-13(20)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,21)(H,17,22)
InChIKey
AYFGIQDAXKAAFZ-UHFFFAOYSA-N
Synonyms
1219578-27-4
1219578274
CN1C(=O)COC2=C1C=C(C=C2)NC(=O)C(=O)NCCC(=O)OC
InChI=1SC15H17N3O6c1181079(3411(10)24812(18)19)1715(22)14(21)166513(20)232h347H568H212H3(H1621)(H1722)
methyl3((2((4methyl3oxo14benzoxazin6yl)amino)2oxoacetyl)amino)propanoate
methyl3(2((4methyl3oxo34dihydro2Hbenzo(b)(14)oxazin6yl)amino)2oxoacetamido)propanoate
methylN(((4methyl3oxo34dihydro2H14benzoxazin6yl)amino)(oxo)acetyl)betaalaninate
MFCD16624896
ZINC000040282900
ZINC40282900

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Available files

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