Vitas-M small molecule compound
8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL381173
SMILES Cc1ccc(cc1)Cn1c(Oc2ccc(cc2Cl)F)nc2c1c(=O)n(c(=O)n2C)C
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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 C21H18ClFN4O3 MW 428.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O3/c1-12-4-6-13(7-5-12)11-27-17-18(25(2)21(29)26(3)19(17)28)24-20(27)30-16-9-8-14(23)10-15(16)22/h4-10H,11H2,1-3H3InChIKey
GWBFXWUIQYDDQD-UHFFFAOYSA-NSynonyms
8(2CHLORO4FLUOROPHENOXY)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8(2chloro4fluorophenoxy)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)F)Cl)N(C(=O)N(C3=O)C)C
InChI=1SC21H18ClFN4O3c1124613(7512)11271718(25(2)21(29)26(3)19(17)28)2420(27)30169814(23)1015(16)22h410H11H213H3
MFCD04276580
ZINC000009679656
ZINC9679656
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