Vitas-M small molecule compound
8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK526907
SMILES CCCCCCCn1c(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 C21H27ClN6O2 MW 430.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O2/c1-4-5-6-7-8-13-28-17-18(27(3)21(30)24-19(17)29)23-20(28)26-25-14(2)15-9-11-16(22)12-10-15/h9-12H,4-8,13H2,1-3H3,(H,23,26)(H,24,29,30)/b25-14+InChIKey
YORPGQGOTVYZIN-AFUMVMLFSA-NSynonyms
305867-87-2(E)8(2(1(4chlorophenyl)ethylidene)hydrazinyl)7heptyl3methyl1Hpurine26(3H7H)dione
305867872
8((2E)2(1(4chlorophenyl)ethylidene)hydrazinyl)7heptyl3methyl37dihydro1Hpurine26dione
8((2E)2(1(4chlorophenyl)ethylidene)hydrazinyl)7heptyl3methylpurine26dione
CCCCCCCn1c(NN=C(c2ccc(cc2)Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC21H27ClN6O2c14567813281718(27(3)21(30)2419(17)29)2320(28)262514(2)1591116(22)121015h912H4813H213H3(H2326)(H242930)b2514+
MFCD01553989
ZINC000100171758
ZINC100171761
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