Vitas-M small molecule compound

8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840141
SMILES OCC(Cn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)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 C17H21N5O4 MW 359.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(9-12(24)10-23)16(19-14)18-8-11-6-4-3-5-7-11/h3-7,12,23-24H,8-10H2,1-2H3,(H,18,19)
InChIKey
QKNAVASCRUCJEC-UHFFFAOYSA-N
Synonyms
78740-20-2
1HPURINE26DIONE37DIHYDRO7(23DIHYDROXYPROPYL)13DIMETHYL8((PHENYLMETHYL)AMINO)
1HPURINE26DIONE7(23DIHYDROXYPROPYL)37DIHYDRO13DIMETHYL8((PHENYLMETHYL)AMINO)
37DIHYDRO7(23DIHYDROXYPROPYL)13DIMETHYL8((PHENYLMETHYL)AMINO)1HPURINE26DIONE
7(23DIHYDROXYPROPYL)13DIMETHYL8(BENZYLAMINO)137TRIHYDROPURINE26DIONE
7(23DIHYDROXYPROPYL)13DIMETHYL8(PHENYLMETHYLAMINO)PURINE26DIONE
7(23DIHYDROXYPROPYL)8BENZYLAMINOTHEOPHYLLINE
78740202
8(benzylamino)7(23dihydroxypropyl)13dimethyl1Hpurine26(3H7H)dione
8(benzylamino)7(23dihydroxypropyl)13dimethyl37dihydro1Hpurine26dione
8(BENZYLAMINO)7(23DIHYDROXYPROPYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CO)O
InChI=1SC17H21N5O4c1201413(15(25)21(2)17(20)26)22(912(24)1023)16(1914)188116435711h37122324H810H212H3(H1819)
MFCD01694364
ZINC000000626178
ZINC000000626180

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Available files

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