Vitas-M small molecule compound
(5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}ethylidene)-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL042775
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCC2=CCCCC2)/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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-14(22-13-12-15-6-4-3-5-7-15)18-19(25)23-21(27)24(20(18)26)16-8-10-17(28-2)11-9-16/h6,8-11,22H,3-5,7,12-13H2,1-2H3,(H,23,25,27)/b18-14+InChIKey
BKBMQYLCUFJVQX-NBVRZTHBSA-NSynonyms
(5E)5(1((2(cyclohex1en1yl)ethyl)amino)ethylidene)6hydroxy3(4methoxyphenyl)pyrimidine24(3H5H)dione
(5E)5(1(2(CYCLOHEXEN1YL)ETHYLAMINO)ETHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCCC3=CCCCC3
COc1ccc(cc1)N1C(=O)N=C(C(=C(NCCC2=CCCCC2)C)C1=O)O
InChI=1SC21H25N3O4c114(221312156435715)1819(25)2321(27)24(20(18)26)1681017(282)11916h681122H3571213H212H3(H232527)b1814+
MFCD07207538
ZINC000101087163
ZINC101087163
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