Vitas-M small molecule compound
[8-(5-chloro-2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]acetic acid
Catalog ID
STL350928
SMILES COc1ccc(cc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)O)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 C18H16ClN5O5 MW 417.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O5/c1-9-7-22-14-15(21(2)18(28)23(16(14)27)8-13(25)26)20-17(22)24(9)11-6-10(19)4-5-12(11)29-3/h4-7H,8H2,1-3H3,(H,25,26)InChIKey
LCVUNHFTBBLSJO-UHFFFAOYSA-NSynonyms
951945-12-3(8(5chloro2methoxyphenyl)17dimethyl24dioxo1248tetrahydro3Himidazo(21f)purin3yl)aceticacid
2(6(5chloro2methoxyphenyl)47dimethyl13dioxopurino(78a)imidazol2yl)aceticacid
2(8(5CHLORO2METHOXYPHENYL)17DIMETHYL24DIOXO135TRIHYDRO4IMIDAZOLINO(12H)PURIN3YL)ACETICACID
2(8(5chloro2methoxyphenyl)17dimethyl24dioxo1Himidazo(21f)purin3(2H4H8H)yl)aceticacid
951945123
CC1=CN2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OC)N(C(=O)N(C3=O)CC(=O)O)C
InChI=1SC18H16ClN5O5c197221415(21(2)18(28)23(16(14)27)813(25)26)2017(22)24(9)11610(19)4512(11)293h47H8H213H3(H2526)
MFCD09853417
ZINC000013692443
ZINC13692443
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