Vitas-M small molecule compound
(5E)-5-[1-(azepan-1-ylamino)propylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Catalog ID
STL049730
SMILES CC/C(=C\1/C(=NC(=NC1=O)O)O)/NN1CCCCCC1
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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 C13H20N4O3 MW 280.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N4O3/c1-2-9(16-17-7-5-3-4-6-8-17)10-11(18)14-13(20)15-12(10)19/h16H,2-8H2,1H3,(H2,14,15,18,19,20)InChIKey
SMAXCQSRSAEDSM-UHFFFAOYSA-NSynonyms
(5E)5(1(azepan1ylamino)propylidene)26dihydroxypyrimidin4(5H)one
5(1(AZEPAN1YLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=NC1=O)O)O)NN1CCCCCC1
CCC(=C1C(=O)NC(=O)NC1=O)NN2CCCCCC2
InChI=1SC13H20N4O3c129(161775346817)1011(18)1413(20)1512(10)19h16H28H21H3(H21415181920)
MFCD05725930
ZINC000009287230
ZINC9287230
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