Vitas-M small molecule compound
7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL377882
SMILES Clc1cccc(c1)Cn1c(SCCn2c(C)ncc2[N+](=O)[O-])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 C20H20ClN7O4S MW 489.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN7O4S/c1-12-22-10-15(28(31)32)26(12)7-8-33-19-23-17-16(18(29)25(3)20(30)24(17)2)27(19)11-13-5-4-6-14(21)9-13/h4-6,9-10H,7-8,11H2,1-3H3InChIKey
CCZHKDVPROXTRE-UHFFFAOYSA-NSynonyms
7((3CHLOROPHENYL)METHYL)13DIMETHYL8(2(2METHYL5NITROIMIDAZOL1YL)ETHYLSULFANYL)PURINE26DIONE
7(3chlorobenzyl)13dimethyl8((2(2methyl5nitro1Himidazol1yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
CC1=NC=C(N1CCSC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C)(N+)(=O)(O)
Clc1cccc(c1)Cn1c(SCCn2c(C)ncc2(N+)(=O)(O))nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC20H20ClN7O4Sc112221015(28(31)32)26(12)783319231716(18(29)25(3)20(30)24(17)2)27(19)111354614(21)913h46910H7811H213H3
MFCD02953976
ZINC000001011637
ZINC01011637
ZINC1011637
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