Vitas-M small molecule compound
methyl N-{(E)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK586002
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-14-7-3-6-10-20(14)28-22(30)17(21(29)27-24(28)32)13-26-19(23(31)33-2)11-15-12-25-18-9-5-4-8-16(15)18/h3-10,12-13,19,25-26H,11H2,1-2H3,(H,27,29,32)/b17-13+InChIKey
ZUPYAIJZYJKEEH-GHRIWEEISA-NSynonyms
CC1=CC=CC=C1N2C(=O)C(=CNC(CC3=CNC4=CC=CC=C43)C(=O)OC)C(=O)NC2=O
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)c1ccccc1C)O
InChI=1SC24H22N4O5c1147361020(14)2822(30)17(21(29)2724(28)32)132619(23(31)332)1115122518954816(15)18h3101213192526H11H212H3(H272932)b1713+
METHYL3(1HINDOL3YL)2(((E)(1(2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(4hydroxy1(2methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07200145
ZINC000002245297
ZINC000002245308
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