Vitas-M small molecule compound

(5E)-1-cycloheptyl-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL049106
SMILES [O-]C1=NC(=O)N(C(=O)/C/1=C/N[NH+]1CCCCC1)C1CCCCCC1

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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 C17H26N4O3 MW 334.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N4O3/c22-15-14(12-18-20-10-6-3-7-11-20)16(23)21(17(24)19-15)13-8-4-1-2-5-9-13/h12-13,18H,1-11H2,(H,19,22,24)/b14-12+
InChIKey
GVAAEGNEEQWWGZ-WYMLVPIESA-N
Synonyms

(5E)1cycloheptyl26dioxo5((piperidinium1ylamino)methylidene)1256tetrahydropyrimidin4olate
(5E)1CYCLOHEPTYL46DIOXO5((PIPERIDIN1IUM1YLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5E)1CYCLOHEPTYL5((PIPERIDIN1YLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(O)C1=NC(=O)N(C(=O)C1=CN(NH+)1CCCCC1)C1CCCCCC1
C1CCCC(CC1)N2C(=O)C(=CN(NH+)3CCCCC3)C(=O)N=C2(O)
InChI=1SC17H26N4O3c221514(121820106371120)16(23)21(17(24)1915)1384125913h121318H111H2(H192224)b1412+
MFCD18249247
ZINC000005093066
ZINC05093066
ZINC5093066

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Available files

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