Vitas-M small molecule compound

7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK599438
SMILES Cc1cccc(c1)OCC(Cn1c(NCCCn2cncc2)nc2c1c(=O)n(C)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 C23H29N7O4 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N7O4/c1-16-6-4-7-18(12-16)34-14-17(31)13-30-19-20(27(2)23(33)28(3)21(19)32)26-22(30)25-8-5-10-29-11-9-24-15-29/h4,6-7,9,11-12,15,17,31H,5,8,10,13-14H2,1-3H3,(H,25,26)
InChIKey
CEOPHIWFWWTVOO-UHFFFAOYSA-N
Synonyms
850745-49-2
7(2hydroxy3(3methylphenoxy)propyl)8((3(1Himidazol1yl)propyl)amino)13dimethyl37dihydro1Hpurine26dione
7(2HYDROXY3(3METHYLPHENOXY)PROPYL)8(3IMIDAZOL1YLPROPYLAMINO)13DIMETHYLPURINE26DIONE
8((3(1Himidazol1yl)propyl)amino)7(2hydroxy3(mtolyloxy)propyl)13dimethyl1Hpurine26(3H7H)dione
850745492
CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)N(C3=O)C)C)O
InChI=1SC23H29N7O4c11664718(1216)341417(31)13301920(27(2)23(33)28(3)21(19)32)2622(30)25851029119241529h46791112151731H58101314H213H3(H2526)
MFCD05693856
ZINC000009291006
ZINC000009291007

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Available files

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