Vitas-M small molecule compound

methyl N-[(Z)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]tyrosinate

Catalog ID
STK612321
SMILES COC(=O)C(Cc1ccc(cc1)O)N/C=C\1/C(=NC(=O)N(C1=O)C)O

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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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-19-14(22)11(13(21)18-16(19)24)8-17-12(15(23)25-2)7-9-3-5-10(20)6-4-9/h3-6,8,12,17,20H,7H2,1-2H3,(H,18,21,24)/b11-8-
InChIKey
XJXZFDUERCLKEQ-FLIBITNWSA-N
Synonyms

CN1C(=O)C(=CNC(CC2=CC=C(C=C2)O)C(=O)OC)C(=O)NC1=O
COC(=O)C(Cc1ccc(cc1)O)NC=C1C(=NC(=O)N(C1=O)C)O
InChI=1SC16H17N3O6c11914(22)11(13(21)1816(19)24)81712(15(23)252)793510(20)649h368121720H7H212H3(H182124)b118
methyl3(4hydroxyphenyl)2(((Z)(1methyl246trioxo13diazinan5ylidene)methyl)amino)propanoate
methylN((Z)(4hydroxy1methyl26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tyrosinate
MFCD08730894
ZINC000020573524
ZINC000020573525

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Available files

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