Vitas-M small molecule compound

(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL056074
SMILES O=C1N=C([O-])/C(=C/N[NH+]2CCCCC2)/C(=O)N1CCC1=CCCCC1

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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 C18H26N4O3 MW 346.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N4O3/c23-16-15(13-19-21-10-5-2-6-11-21)17(24)22(18(25)20-16)12-9-14-7-3-1-4-8-14/h7,13,19H,1-6,8-12H2,(H,20,23,25)/b15-13-
InChIKey
LVICXXJTYPZJFH-SQFISAMPSA-N
Synonyms

(5Z)1(2(cyclohex1en1yl)ethyl)26dioxo5((piperidinium1ylamino)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)46DIOXO5((PIPERIDIN1IUM1YLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((PIPERIDIN1YLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
C1CC(NH+)(CC1)NC=C2C(=O)N=C(N(C2=O)CCC3=CCCCC3)(O)
InChI=1SC18H26N4O3c231615(131921105261121)17(24)22(18(25)2016)129147314814h71319H16812H2(H202325)b1513
MFCD18249717
O=C1N=C((O))C(=CN(NH+)2CCCCC2)C(=O)N1CCC1=CCCCC1
ZINC000017198523
ZINC17198523

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Available files

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