Vitas-M small molecule compound
4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide
Catalog ID
STK568464
SMILES C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=S)NC)/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 C17H26N6O3S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N6O3S/c1-4-6-23-15(25)13(14(24)20-16(23)26)12(2)19-5-7-21-8-10-22(11-9-21)17(27)18-3/h4,19H,1,5-11H2,2-3H3,(H,18,27)(H,20,24,26)/b13-12+InChIKey
MQFMDMFAHRKLGH-OUKQBFOZSA-NSynonyms
4(2(((1E)1(4hydroxy26dioxo1(prop2en1yl)16dihydropyrimidin5(2H)ylidene)ethyl)amino)ethyl)Nmethylpiperazine1carbothioamide
4(2(1(1ALLYL246TRIOXOTETRAHYDROPYRIMIDIN(5E)YLIDENE)ETHYLAMINO)ETHYL)PIPERAZINE1CARBOTHIOICACIDMETHYLAMIDE
C=CCN1C(=O)N=C(C(=C(NCCN2CCN(CC2)C(=S)NC)C)C1=O)O
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCCN2CCN(CC2)C(=S)NC
InChI=1SC17H26N6O3Sc1462315(25)13(14(24)2016(23)26)12(2)19572181022(11921)17(27)183h419H1511H223H3(H1827)(H202426)b1312+
MFCD07200013
Nmethyl4(2(((1E)1(246trioxo1prop2enyl13diazinan5ylidene)ethyl)amino)ethyl)piperazine1carbothioamide
ZINC000020292421
ZINC20292421
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