Vitas-M small molecule compound
N-{(1E)-1-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]ethyl}histidine
Catalog ID
STL448593
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C(\NC(C(=O)O)Cc2nc[nH]c2)/C)/C1=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 C19H19N5O5 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O5/c1-10-3-5-13(6-4-10)24-17(26)15(16(25)23-19(24)29)11(2)22-14(18(27)28)7-12-8-20-9-21-12/h3-6,8-9,14,22H,7H2,1-2H3,(H,20,21)(H,27,28)(H,23,25,29)/b15-11+InChIKey
GZZVJYCLCVAPCV-RVDMUPIBSA-NSynonyms
3(1Himidazol5yl)2(((1E)1(1(4methylphenyl)246trioxo13diazinan5ylidene)ethyl)amino)propanoicacid
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NC(CC3=CN=CN3)C(=O)O)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=C(NC(C(=O)O)Cc2nc(nH)c2)C)C1=O
InChI=1SC19H19N5O5c1103513(6410)2417(26)15(16(25)2319(24)29)11(2)2214(18(27)28)71282092112h36891422H7H212H3(H2021)(H2728)(H232529)b1511+
MFCD07774052
N((1E)1(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)ethyl)histidine
ZINC000025183191
ZINC000025183200
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