Vitas-M small molecule compound
(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK570289
SMILES Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc3c(c2)OCO3)/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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-12-3-6-15(7-4-12)24-20(26)18(19(25)23-21(24)27)13(2)22-10-14-5-8-16-17(9-14)29-11-28-16/h3-9,22H,10-11H2,1-2H3,(H,23,25,27)/b18-13+InChIKey
YUVRDXNBTKVYNP-QGOAFFKASA-NSynonyms
(5E)5(1((13benzodioxol5ylmethyl)amino)ethylidene)6hydroxy3(4methylphenyl)pyrimidine24(3H5H)dione
(5E)5(1(13benzodioxol5ylmethylamino)ethylidene)1(4methylphenyl)13diazinane246trione
5(1((BENZO(13)DIOXOL5YLMETHYL)AMINO)ETH(E)YLIDENE)1PTOLYLPYRIMIDINE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NCC3=CC4=C(C=C3)OCO4)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)N=C(C(=C(NCc2ccc3c(c2)OCO3)C)C1=O)O
InChI=1SC21H19N3O5c1123615(7412)2420(26)18(19(25)2321(24)27)13(2)221014581617(914)29112816h3922H1011H212H3(H232527)b1813+
MFCD05737768
ZINC000005626001
ZINC05626001
ZINC5626001
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