Vitas-M small molecule compound
1-benzyl-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK028099
SMILES Cc1cccc(c1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1
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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 C21H20N4O3 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3/c1-14-8-7-11-16(12-14)28-20-22-18-17(23(20)2)19(26)25(21(27)24(18)3)13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3InChIKey
IOTCGJSAZLFJSP-UHFFFAOYSA-NSynonyms
371228-19-21BENZYL37DIMETHYL8(3METHYLPHENOXY)37DIHYDRO1HPURINE26DIONE
1BENZYL37DIMETHYL8(3METHYLPHENOXY)PURINE26DIONE
1benzyl37dimethyl8(mtolyloxy)1Hpurine26(3H7H)dione
371228192
CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4
Cc1cccc(c1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1
InChI=1SC21H20N4O3c114871116(1214)2820221817(23(20)2)19(26)25(21(27)24(18)3)131595461015h412H13H213H3
MFCD01552320
STK028099
ZINC000013511148
ZINC13511148
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