Vitas-M small molecule compound

7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK540669
SMILES CCN(CCNc1nc2c(n1CC(COc1ccc(cc1Cl)Cl)O)c(=O)[nH]c(=O)n2C)CC

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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 C21H28Cl2N6O4 MW 499.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28Cl2N6O4/c1-4-28(5-2)9-8-24-20-25-18-17(19(31)26-21(32)27(18)3)29(20)11-14(30)12-33-16-7-6-13(22)10-15(16)23/h6-7,10,14,30H,4-5,8-9,11-12H2,1-3H3,(H,24,25)(H,26,31,32)
InChIKey
GDLYVTIJGRNLNU-UHFFFAOYSA-N
Synonyms

7(3(24DICHLOROPHENOXY)2HYDROXYPROPYL)8((2(DIETHYLAMINO)ETHYL)AMINO)3METHYL1HPURINE26(3H7H)DIONE
7(3(24dichlorophenoxy)2hydroxypropyl)8((2(diethylamino)ethyl)amino)3methyl37dihydro1Hpurine26dione
7(3(24dichlorophenoxy)2hydroxypropyl)8(2(diethylamino)ethylamino)3methylpurine26dione
7(3(24DICHLOROPHENOXY)2HYDROXYPROPYL)8(2DIETHYLAMINOETHYLAMINO)3METHYLPURINE26DIONE
CCN(CC)CCNC1=NC2=C(N1CC(COC3=C(C=C(C=C3)Cl)Cl)O)C(=O)NC(=O)N2C
CCN(CCNc1nc2c(n1CC(COc1ccc(cc1Cl)Cl)O)c(=O)(nH)c(=O)n2C)CC
InChI=1SC21H28Cl2N6O4c1428(52)982420251817(19(31)2621(32)27(18)3)29(20)1114(30)1233167613(22)1015(16)23h67101430H45891112H213H3(H2425)(H263132)
MFCD02982406
ZINC000019912649
ZINC000019912651

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Available files

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