Vitas-M small molecule compound

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

Catalog ID
STK540852
SMILES CCc1ccc(cc1)OCC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)O

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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 C21H30N6O4 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N6O4/c1-5-14-6-8-16(9-7-14)31-13-15(28)12-27-17-18(26(4)21(30)24-19(17)29)23-20(27)22-10-11-25(2)3/h6-9,15,28H,5,10-13H2,1-4H3,(H,22,23)(H,24,29,30)
InChIKey
BHOGXUZUQXQXGH-UHFFFAOYSA-N
Synonyms

8((2(dimethylamino)ethyl)amino)7(3(4ethylphenoxy)2hydroxypropyl)3methyl1Hpurine26(3H7H)dione
8((2(dimethylamino)ethyl)amino)7(3(4ethylphenoxy)2hydroxypropyl)3methyl37dihydro1Hpurine26dione
8(2(dimethylamino)ethylamino)7(3(4ethylphenoxy)2hydroxypropyl)3methylpurine26dione
8(2DIMETHYLAMINOETHYLAMINO)7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYLPURINE26DIONE
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O
CCc1ccc(cc1)OCC(Cn1c(NCCN(C)C)nc2c1c(=O)(nH)c(=O)n2C)O
InChI=1SC21H30N6O4c15146816(9714)311315(28)12271718(26(4)21(30)2419(17)29)2320(27)22101125(2)3h691528H51013H214H3(H2223)(H242930)
MFCD02231659
ZINC000019879899
ZINC000019879902

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Available files

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