Vitas-M small molecule compound
N-[(Z)-(1-hexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]histidine
Catalog ID
STK581547
SMILES CCCCCCN1C(=O)N=C(/C(=C/NC(C(=O)O)Cc2c[nH]cn2)/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 C17H23N5O5 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N5O5/c1-2-3-4-5-6-22-15(24)12(14(23)21-17(22)27)9-19-13(16(25)26)7-11-8-18-10-20-11/h8-10,13,19H,2-7H2,1H3,(H,18,20)(H,25,26)(H,21,23,27)/b12-9-InChIKey
QGDVPDYYFWYBHB-XFXZXTDPSA-NSynonyms
2(((Z)(1hexyl246trioxo13diazinan5ylidene)methyl)amino)3(1Himidazol5yl)propanoicacid
CCCCCCN1C(=O)C(=CNC(CC2=CN=CN2)C(=O)O)C(=O)NC1=O
CCCCCCN1C(=O)N=C(C(=CNC(C(=O)O)Cc2c(nH)cn2)C1=O)O
InChI=1SC17H23N5O5c1234562215(24)12(14(23)2117(22)27)91913(16(25)26)711818102011h8101319H27H21H3(H1820)(H2526)(H212327)b129
MFCD07796702
N((Z)(1hexyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)histidine
ZINC000020567545
ZINC000020567546
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