Vitas-M small molecule compound
[3-(4-chlorobenzyl)-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]acetic acid
Catalog ID
STK628357
SMILES OC(=O)Cn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl
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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 C18H16ClN5O4 MW 401.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O4/c1-10-7-23-14-15(20-17(23)22(10)9-13(25)26)21(2)18(28)24(16(14)27)8-11-3-5-12(19)6-4-11/h3-7H,8-9H2,1-2H3,(H,25,26)InChIKey
CZGVVVONESLTIQ-UHFFFAOYSA-NSynonyms
949399-94-4(3(4chlorobenzyl)17dimethyl24dioxo1234tetrahydro8Himidazo(21f)purin8yl)aceticacid
2(2((4chlorophenyl)methyl)47dimethyl13dioxopurino(78a)imidazol6yl)aceticacid
2(3((4CHLOROPHENYL)METHYL)17DIMETHYL24DIOXO135TRIHYDRO4IMIDAZOLINO(12H)PURIN8YL)ACETICACID
2(3(4chlorobenzyl)17dimethyl24dioxo34dihydro1Himidazo(21f)purin8(2H)yl)aceticacid
949399944
CC1=CN2C3=C(N=C2N1CC(=O)O)N(C(=O)N(C3=O)CC4=CC=C(C=C4)Cl)C
InChI=1SC18H16ClN5O4c1107231415(2017(23)22(10)913(25)26)21(2)18(28)24(16(14)27)8113512(19)6411h37H89H212H3(H2526)
MFCD09853040
ZINC000012558811
ZINC12558811
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