Vitas-M small molecule compound

(5E)-5-(1-{[3-(dimethylammonio)propyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL042585
SMILES C=CCN1C(=O)N=C(/C(=C(\NCCC[NH+](C)C)/C)/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 C14H22N4O3 MW 294.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22N4O3/c1-5-8-18-13(20)11(12(19)16-14(18)21)10(2)15-7-6-9-17(3)4/h5,15H,1,6-9H2,2-4H3,(H,16,19,21)/b11-10+
InChIKey
WPYVTQAXKFBBJC-ZHACJKMWSA-N
Synonyms

(5E)5(1((3(dimethylammonio)propyl)amino)ethylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
(5E)5(1(3(DIMETHYLAMINO)PROPYLAMINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
1ALLYL5(1(3DIMETHYLAMINOPROPYLAMINO)ETH(E)YLIDENE)PYRIMIDINE246TRIONE
C=CCN1C(=O)N=C(C(=C(NCCC(NH+)(C)C)C)C1=O)(O)
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCCCN(C)C
InChI=1SC14H22N4O3c1581813(20)11(12(19)1614(18)21)10(2)1576917(3)4h515H169H224H3(H161921)b1110+
MFCD18248170
ZINC000020292668
ZINC20292668

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Available files

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