Vitas-M small molecule compound
8-[bis(2-hydroxyethyl)amino]-6-hydroxy-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL149453
SMILES OCCN(c1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C)CCO
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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 C18H23N5O4 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O4/c1-12-4-3-5-13(10-12)11-23-14-15(21(2)18(27)20-16(14)26)19-17(23)22(6-8-24)7-9-25/h3-5,10,24-25H,6-9,11H2,1-2H3,(H,20,26,27)InChIKey
IPPOTILYORGFGA-UHFFFAOYSA-NSynonyms
8(BIS(2HYDROXYETHYL)AMINO)3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8(BIS(2HYDROXYETHYL)AMINO)3METHYL7(3METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8(bis(2hydroxyethyl)amino)6hydroxy3methyl7(3methylbenzyl)37dihydro2Hpurin2one
CC1=CC(=CC=C1)CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C
InChI=1SC18H23N5O4c11243513(1012)11231415(21(2)18(27)2016(14)26)1917(23)22(6824)7925h35102425H6911H212H3(H202627)
MFCD03802232
ZINC000001241142
ZINC01241142
ZINC1241142
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