Vitas-M small molecule compound
8-(azepan-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834155
SMILES OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)COc1ccccc1C
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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 C22H29N5O4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O4/c1-15-9-5-6-10-17(15)31-14-16(28)13-27-18-19(25(2)22(30)24-20(18)29)23-21(27)26-11-7-3-4-8-12-26/h5-6,9-10,16,28H,3-4,7-8,11-14H2,1-2H3,(H,24,29,30)InChIKey
CHABZSKUTBDJHP-UHFFFAOYSA-NSynonyms
330202-14-7330202147
8(azepan1yl)7(2hydroxy3(2methylphenoxy)propyl)3methyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYLPURINE26DIONE
8(AZEPAN1YL)7(2HYDROXY3(OTOLYLOXY)PROPYL)3METHYL1HPURINE26(3H7H)DIONE
8AZAPERHYDROEPINYL7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL137TRIHYDROPURINE26DIONE
CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C)O
InChI=1SC22H29N5O4c1159561017(15)311416(28)13271819(25(2)22(30)2420(18)29)2321(27)261173481226h569101628H34781114H212H3(H242930)
MFCD01879065
OC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCCC1)COc1ccccc1C
ZINC000000850877
ZINC000000850878
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