Vitas-M small molecule compound

8-(4-chloro-2-cyclohexylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK680856
SMILES CCOc1ccc(cc1OCC)Cn1c(Oc2ccc(cc2C2CCCCC2)Cl)nc2c1c(=O)n(C)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 C30H35ClN4O5 MW 567.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35ClN4O5/c1-5-38-24-14-12-19(16-25(24)39-6-2)18-35-26-27(33(3)30(37)34(4)28(26)36)32-29(35)40-23-15-13-21(31)17-22(23)20-10-8-7-9-11-20/h12-17,20H,5-11,18H2,1-4H3
InChIKey
QYKPXDWYCZEVHP-UHFFFAOYSA-N
Synonyms

8(4CHLORO2CYCLOHEXYLPHENOXY)7((34DIETHOXYPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(4chloro2cyclohexylphenoxy)7(34diethoxybenzyl)13dimethyl37dihydro1Hpurine26dione
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)Cl)C5CCCCC5)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC30H35ClN4O5c153824141219(1625(24)3962)18352627(33(3)30(37)34(4)28(26)36)3229(35)4023151321(31)1722(23)20108791120h121720H51118H214H3
MFCD03767506
ZINC000033354960
ZINC33354960

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Available files

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