Vitas-M small molecule compound
(5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}propylidene)-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL048385
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NCCC1=CCCCC1
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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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-3-18(23-14-13-15-7-5-4-6-8-15)19-20(26)24-22(28)25(21(19)27)16-9-11-17(29-2)12-10-16/h7,9-12,23H,3-6,8,13-14H2,1-2H3,(H,24,26,28)/b19-18+InChIKey
REFCJJQORGRCNL-VHEBQXMUSA-NSynonyms
(5E)5(1((2(cyclohex1en1yl)ethyl)amino)propylidene)6hydroxy3(4methoxyphenyl)pyrimidine24(3H5H)dione
(5E)5(1(2(CYCLOHEXEN1YL)ETHYLAMINO)PROPYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)NCCC1=CCCCC1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCCC3=CCCCC3
InChI=1SC22H27N3O4c1318(231413157546815)1920(26)2422(28)25(21(19)27)1691117(292)121016h791223H3681314H212H3(H242628)b1918+
MFCD07202008
ZINC000101038811
ZINC101038811
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