Vitas-M small molecule compound
(5Z)-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene}-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049045
SMILES C=CCN1C(=O)N=C(/C(=C(/NN2CC[NH+](CC2)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 C14H21N5O3 MW 307.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N5O3/c1-4-5-19-13(21)11(12(20)15-14(19)22)10(2)16-18-8-6-17(3)7-9-18/h4,16H,1,5-9H2,2-3H3,(H,15,20,22)/b11-10-InChIKey
KXBKQSDMCXTONB-KHPPLWFESA-NSynonyms
(5Z)5(1((4METHYLPIPERAZIN1YL)AMINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5Z)5(1((4methylpiperazin4ium1yl)amino)ethylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
(5Z)5(1((4METHYLPIPERAZIN4IUM1YL)AMINO)ETHYLIDENE)46DIOXO1PROP2ENYLPYRIMIDIN2OLATE
1ALLYL5(1(4METHYLPIPERAZIN1YLAMINO)ETH(Z)YLIDENE)PYRIMIDINE246TRIONE
C=CCN1C(=O)N=C(C(=C(NN2CC(NH+)(CC2)C)C)C1=O)(O)
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NN2CCN(CC2)C
InChI=1SC14H21N5O3c1451913(21)11(12(20)1514(19)22)10(2)16188617(3)7918h416H159H223H3(H152022)b1110
MFCD18249241
ZINC000016956515
ZINC16956515
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