Vitas-M small molecule compound
3-(4-chlorophenyl)-4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}butanoic acid
Catalog ID
STK600877
SMILES OC(=O)CC(c1ccc(cc1)Cl)CNC=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 C17H18ClN3O5 MW 379.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O5/c1-20-15(24)13(16(25)21(2)17(20)26)9-19-8-11(7-14(22)23)10-3-5-12(18)6-4-10/h3-6,9,11,19H,7-8H2,1-2H3,(H,22,23)InChIKey
RLNSXZAVUWJHMX-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)4(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)butanoicacid
3(4chlorophenyl)4((13dimethyl246trioxo13diazinan5ylidene)methylamino)butanoicacid
CN1C(=O)C(=CNCC(CC(=O)O)C2=CC=C(C=C2)Cl)C(=O)N(C1=O)C
InChI=1SC17H18ClN3O5c12015(24)13(16(25)21(2)17(20)26)919811(714(22)23)103512(18)6410h3691119H78H212H3(H2223)
MFCD08745634
ZINC000020621743
ZINC000020621746
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