Vitas-M small molecule compound
methyl N-{(E)-[2-hydroxy-1-(4-methoxyphenyl)-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Catalog ID
STK591200
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)OC)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 C24H22N4O6 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6/c1-33-16-9-7-15(8-10-16)28-22(30)18(21(29)27-24(28)32)13-26-20(23(31)34-2)11-14-12-25-19-6-4-3-5-17(14)19/h3-10,12-13,20,25-26H,11H2,1-2H3,(H,27,29,32)/b18-13+InChIKey
ATGGLPAUTPUMTD-QGOAFFKASA-NSynonyms
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)OC)O
COC1=CC=C(C=C1)N2C(=O)C(=CNC(CC3=CNC4=CC=CC=C43)C(=O)OC)C(=O)NC2=O
InChI=1SC24H22N4O6c133169715(81016)2822(30)18(21(29)2724(28)32)132620(23(31)342)1114122519643517(14)19h3101213202526H11H212H3(H272932)b1813+
METHYL3(1HINDOL3YL)2(((E)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(2hydroxy1(4methoxyphenyl)46dioxo16dihydropyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07207122
ZINC000002383679
ZINC000002383683
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