Vitas-M small molecule compound

(5E)-3-butyl-5-({[3-(diethylamino)propyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK561909
SMILES CCCCN1C(=O)N=C(/C(=C\NCCCN(CC)CC)/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 C16H28N4O3 MW 324.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28N4O3/c1-4-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(5-2)6-3/h12,17H,4-11H2,1-3H3,(H,18,21,23)/b13-12+
InChIKey
UPYMHRXYJABJRM-OUKQBFOZSA-N
Synonyms

(5E)1BUTYL5((3(DIETHYLAMINO)PROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3butyl5(((3(diethylamino)propyl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)C(=CNCCCN(CC)CC)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=CNCCCN(CC)CC)C1=O)O
InChI=1SC16H28N4O3c147112015(22)13(14(21)1816(20)23)1217981019(52)63h1217H411H213H3(H182123)b1312+
MFCD04075551
ZINC000020324922
ZINC20324922

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.