Vitas-M small molecule compound
3-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-(4-methoxynaphthalen-1-yl)propanoic acid
Catalog ID
STK615964
SMILES COc1ccc(c2c1cccc2)C(CC(=O)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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-23-19(27)15(20(28)24(2)21(23)29)11-22-16(10-18(25)26)13-8-9-17(30-3)14-7-5-4-6-12(13)14/h4-9,11,16,22H,10H2,1-3H3,(H,25,26)InChIKey
INZVVERFLVZONR-UHFFFAOYSA-NSynonyms
3(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3(4methoxynaphthalen1yl)propanoicacid
3((13dimethyl246trioxo13diazinan5ylidene)methylamino)3(4methoxynaphthalen1yl)propanoicacid
CN1C(=O)C(=CNC(CC(=O)O)C2=CC=C(C3=CC=CC=C32)OC)C(=O)N(C1=O)C
InChI=1SC21H21N3O6c12319(27)15(20(28)24(2)21(23)29)112216(1018(25)26)138917(303)14754612(13)14h49111622H10H213H3(H2526)
MFCD08749081
ZINC000020623681
ZINC000020623685
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