Vitas-M small molecule compound

8-(azepan-1-yl)-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK000206
SMILES ClCC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)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 C15H22ClN5O3 MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22ClN5O3/c1-19-12-11(13(23)18-15(19)24)21(9-10(22)8-16)14(17-12)20-6-4-2-3-5-7-20/h10,22H,2-9H2,1H3,(H,18,23,24)
InChIKey
XIEMLDLMLSWKFB-UHFFFAOYSA-N
Synonyms
303969-56-4
303969564
8(azepan1yl)7(3chloro2hydroxypropyl)3methyl1Hpurine26(3H7H)dione
8(AZEPAN1YL)7(3CHLORO2HYDROXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(AZEPAN1YL)7(3CHLORO2HYDROXYPROPYL)3METHYLPURINE26DIONE
8AZAPERHYDROEPINYL7(3CHLORO2HYDROXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
ClCC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCCC1)O
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(CCl)O
InChI=1SC15H22ClN5O3c1191211(13(23)1815(19)24)21(910(22)816)14(1712)2064235720h1022H29H21H3(H182324)
MFCD01142821
STK000206
ZINC000000827966
ZINC000000827967

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Available files

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