Vitas-M small molecule compound
(5E)-3-cyclohexyl-5-{1-[(2,5-dimethoxyphenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL042334
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/Nc1cc(OC)ccc1OC
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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 C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-4-15(22-16-12-14(28-2)10-11-17(16)29-3)18-19(25)23-21(27)24(20(18)26)13-8-6-5-7-9-13/h10-13,22H,4-9H2,1-3H3,(H,23,25,27)/b18-15+InChIKey
RHKJAQCBNZLOHK-OBGWFSINSA-NSynonyms
(5E)1CYCLOHEXYL5(1(25DIMETHOXYANILINO)PROPYLIDENE)13DIAZINANE246TRIONE
(5E)3cyclohexyl5(1((25dimethoxyphenyl)amino)propylidene)6hydroxypyrimidine24(3H5H)dione
CCC(=C1C(=NC(=O)N(C1=O)C1CCCCC1)O)Nc1cc(OC)ccc1OC
CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NC3=C(C=CC(=C3)OC)OC
InChI=1SC21H27N3O5c1415(22161214(282)101117(16)293)1819(25)2321(27)24(20(18)26)138657913h101322H49H213H3(H232527)b1815+
MFCD07211703
ZINC000009016121
ZINC09016121
ZINC9016121
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