Vitas-M small molecule compound
(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL053863
SMILES CCCCN1C(=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 C18H21N3O5 MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5/c1-3-4-7-21-17(23)15(16(22)20-18(21)24)11(2)19-9-12-5-6-13-14(8-12)26-10-25-13/h5-6,8,19H,3-4,7,9-10H2,1-2H3,(H,20,22,24)/b15-11+InChIKey
LUOCFBBNGAVTLZ-RVDMUPIBSA-NSynonyms
(5E)5(1((13benzodioxol5ylmethyl)amino)ethylidene)3butyl6hydroxypyrimidine24(3H5H)dione
(5E)5(1(13benzodioxol5ylmethylamino)ethylidene)1butyl13diazinane246trione
5(1((BENZO(13)DIOXOL5YLMETHYL)AMINO)ETH(E)YLIDENE)1BUTYLPYRIMIDINE246TRIONE
CCCCN1C(=O)C(=C(C)NCC2=CC3=C(C=C2)OCO3)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(NCc2ccc3c(c2)OCO3)C)C1=O)O
InChI=1SC18H21N3O5c13472117(23)15(16(22)2018(21)24)11(2)19912561314(812)26102513h56819H347910H212H3(H202224)b1511+
MFCD05728087
ZINC000006564533
ZINC06564533
ZINC6564533
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