Vitas-M small molecule compound

methyl N-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]tyrosinate

Catalog ID
STK614839
SMILES COC(=O)C(Cc1ccc(cc1)O)NC=C1C(=O)N(C)C(=O)N(C1=O)C

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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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-19-14(22)12(15(23)20(2)17(19)25)9-18-13(16(24)26-3)8-10-4-6-11(21)7-5-10/h4-7,9,13,18,21H,8H2,1-3H3
InChIKey
SDFSTXYGJXUMQB-UHFFFAOYSA-N
Synonyms

CN1C(=O)C(=CNC(CC2=CC=C(C=C2)O)C(=O)OC)C(=O)N(C1=O)C
InChI=1SC17H19N3O6c11914(22)12(15(23)20(2)17(19)25)91813(16(24)263)8104611(21)7510h479131821H8H213H3
methyl2(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3(4hydroxyphenyl)propanoate
methyl2((13dimethyl246trioxo13diazinan5ylidene)methylamino)3(4hydroxyphenyl)propanoate
methylN((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)tyrosinate
MFCD08288413
ZINC000020573744
ZINC000020573745

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Available files

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