Vitas-M small molecule compound
(5Z)-5-[1-(azepan-1-ylamino)ethylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Catalog ID
STL053868
SMILES OC1=NC(=O)/C(=C(\NN2CCCCCC2)/C)/C(=N1)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 C12H18N4O3 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O3/c1-8(15-16-6-4-2-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h15H,2-7H2,1H3,(H2,13,14,17,18,19)InChIKey
KCTOVEGGYQCCDN-UHFFFAOYSA-NSynonyms
(5Z)5(1(azepan1ylamino)ethylidene)26dihydroxypyrimidin4(5H)one
5(1(AZEPAN1YLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)NC1=O)NN2CCCCCC2
InChI=1SC12H18N4O3c18(151664235716)910(17)1312(19)1411(9)18h15H27H21H3(H21314171819)
MFCD05732935
OC1=NC(=O)C(=C(NN2CCCCCC2)C)C(=N1)O
ZINC000005046144
ZINC5046144
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