Vitas-M small molecule compound
(5E)-5-[(azepan-1-ylamino)methylidene]-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK555972
SMILES CCCCCCN1C(=O)NC(=O)/C(=C\NN2CCCCCC2)/C1=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 C17H28N4O3 MW 336.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O3/c1-2-3-4-9-12-21-16(23)14(15(22)19-17(21)24)13-18-20-10-7-5-6-8-11-20/h13,18H,2-12H2,1H3,(H,19,22,24)/b14-13+InChIKey
QTCGPTRUTSQVPS-BUHFOSPRSA-NSynonyms
(5E)5((AZEPAN1IUM1YLAMINO)METHYLIDENE)1HEXYL46DIOXOPYRIMIDIN2OLATE
(5E)5((AZEPAN1YLAMINO)METHYLIDENE)1HEXYL13DIAZINANE246TRIONE
(5E)5((azepan1ylamino)methylidene)1hexylpyrimidine246(1H3H5H)trione
(E)5((azepan1ylamino)methylene)1hexylpyrimidine246(1H3H5H)trione
5(1(AZEPAN1YLAMINO)METH(E)YLIDENE)1HEXYLPYRIMIDINE246TRIONE
CCCCCCN1C(=O)C(=CN(NH+)2CCCCCC2)C(=O)N=C1(O)
CCCCCCN1C(=O)NC(=O)C(=CNN2CCCCCC2)C1=O
InChI=1SC17H28N4O3c12349122116(23)14(15(22)1917(21)24)1318201075681120h1318H212H21H3(H192224)b1413+
MFCD04014835
ZINC000005573689
ZINC000038168852
ZINC05573689
ZINC5573689
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