Vitas-M small molecule compound

8-{(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL326447
SMILES OC(Cn1c(N/N=C(\c2ccc(cc2)Cl)/C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

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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 C24H25ClN6O4 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O4/c1-14-6-4-5-7-19(14)35-13-18(32)12-31-20-21(30(3)24(34)27-22(20)33)26-23(31)29-28-15(2)16-8-10-17(25)11-9-16/h4-11,18,32H,12-13H2,1-3H3,(H,26,29)(H,27,33,34)/b28-15-
InChIKey
HSAHROXBUYMBOI-MBTHVWNTSA-N
Synonyms
372154-32-0
(Z)8(2(1(4chlorophenyl)ethylidene)hydrazinyl)7(2hydroxy3(otolyloxy)propyl)3methyl1Hpurine26(3H7H)dione
372154320
8((2Z)2(1(4chlorophenyl)ethylidene)hydrazinyl)7(2hydroxy3(2methylphenoxy)propyl)3methyl37dihydro1Hpurine26dione
8((2Z)2(1(4CHLOROPHENYL)ETHYLIDENE)HYDRAZINYL)7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYLPURINE26DIONE
CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=C(C)C4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C)O
InChI=1SC24H25ClN6O4c114645719(14)351318(32)12312021(30(3)24(34)2722(20)33)2623(31)292815(2)1681017(25)11916h4111832H1213H213H3(H2629)(H273334)b2815
MFCD01878438
OC(Cn1c(NN=C(c2ccc(cc2)Cl)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000005313324
ZINC000005313328

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.