Vitas-M small molecule compound
methyl N-[(1Z)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]tryptophanate
Catalog ID
STK598941
SMILES CCCCN1C(=O)N=C(/C(=C(/NC(C(=O)OC)Cc2c[nH]c3c2cccc3)\C)/C1=O)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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-4-5-10-26-20(28)18(19(27)25-22(26)30)13(2)24-17(21(29)31-3)11-14-12-23-16-9-7-6-8-15(14)16/h6-9,12,17,23-24H,4-5,10-11H2,1-3H3,(H,25,27,30)/b18-13-InChIKey
QTRDZROVMFGFMI-AQTBWJFISA-NSynonyms
CCCCN1C(=O)C(=C(C)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(NC(C(=O)OC)Cc2c(nH)c3c2cccc3)C)C1=O)O
InChI=1SC22H26N4O5c145102620(28)18(19(27)2522(26)30)13(2)2417(21(29)313)1114122316976815(14)16h6912172324H451011H213H3(H252730)b1813
METHYL2(((1Z)1(1BUTYL246TRIOXO13DIAZINAN5YLIDENE)ETHYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN((1Z)1(1butyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)tryptophanate
MFCD07202740
ZINC000004313022
ZINC000004313024
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