Vitas-M small molecule compound

(5Z)-3-butyl-6-hydroxy-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STK559545
SMILES CCCCN1C(=O)N=C(/C(=C/NCCN2CCNCC2)/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 C15H25N5O3 MW 323.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H25N5O3/c1-2-3-7-20-14(22)12(13(21)18-15(20)23)11-17-6-10-19-8-4-16-5-9-19/h11,16-17H,2-10H2,1H3,(H,18,21,23)/b12-11-
InChIKey
VGHGDZFMLHXUHN-QXMHVHEDSA-N
Synonyms

(5Z)1BUTYL5((2PIPERAZIN1YLETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3butyl6hydroxy5(((2(piperazin1yl)ethyl)amino)methylidene)pyrimidine24(3H5H)dione
CCCCN1C(=O)C(=CNCCN2CCNCC2)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=CNCCN2CCNCC2)C1=O)O
InChI=1SC15H25N5O3c12372014(22)12(13(21)1815(20)23)11176101984165919h111617H210H21H3(H182123)b1211
MFCD03795647
ZINC000019359483
ZINC19359483

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Available files

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