Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700789
SMILES C/C=C/Cn1c(N/N=C(/c2ccc(cc2)Cl)\C)nc2c1c(=O)[nH]c(=O)n2C
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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 C18H19ClN6O2 MW 386.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O2/c1-4-5-10-25-14-15(24(3)18(27)21-16(14)26)20-17(25)23-22-11(2)12-6-8-13(19)9-7-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,26,27)/b5-4+,22-11+InChIKey
YTXQAMULLFEECW-XOSCWHDYSA-NSynonyms
306732-90-1306732901
7((2E)but2en1yl)8((2E)2(1(4chlorophenyl)ethylidene)hydrazinyl)3methyl37dihydro1Hpurine26dione
7((E)but2en1yl)8((E)2(1(4chlorophenyl)ethylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
7((E)BUT2ENYL)8((2E)2(1(4CHLOROPHENYL)ETHYLIDENE)HYDRAZINYL)3METHYLPURINE26DIONE
CC=CCn1c(NN=C(c2ccc(cc2)Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC18H19ClN6O2c14510251415(24(3)18(27)2116(14)26)2017(25)232211(2)126813(19)9712h49H10H213H3(H2023)(H212627)b54+2211+
MFCD01554704
ZINC000004730466
ZINC05725464
ZINC5725464
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