Vitas-M small molecule compound
8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833894
SMILES CCCCCCn1c(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 C20H25ClN6O2 MW 416.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN6O2/c1-4-5-6-7-12-27-16-17(26(3)20(29)23-18(16)28)22-19(27)25-24-13(2)14-8-10-15(21)11-9-14/h8-11H,4-7,12H2,1-3H3,(H,22,25)(H,23,28,29)/b24-13+InChIKey
PQFNMLXMAPGHQT-ZMOGYAJESA-NSynonyms
332400-64-3(E)8(2(1(4chlorophenyl)ethylidene)hydrazinyl)7hexyl3methyl1Hpurine26(3H7H)dione
332400643
8((2E)2(1(4chlorophenyl)ethylidene)hydrazinyl)7hexyl3methyl37dihydro1Hpurine26dione
8((2E)2(1(4CHLOROPHENYL)ETHYLIDENE)HYDRAZINYL)7HEXYL3METHYLPURINE26DIONE
CCCCCCn1c(NN=C(c2ccc(cc2)Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC20H25ClN6O2c1456712271617(26(3)20(29)2318(16)28)2219(27)252413(2)1481015(21)11914h811H4712H213H3(H2225)(H232829)b2413+
MFCD01555951
ZINC000004730570
ZINC04713325
ZINC4713325
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