Vitas-M small molecule compound
1-(4-ethoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiolate
Catalog ID
STL059247
SMILES CCOc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1[S-])[N+](=O)[O-]
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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 C13H13N4O5S MW 337.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O5S/c1-3-22-11-5-4-9(6-10(11)16(18)19)7-15-8(2)14-12(13(15)23)17(20)21/h4-6,23H,3,7H2,1-2H3/p-1InChIKey
QHIQXXJINLTEON-UHFFFAOYSA-MSynonyms
1(4ethoxy3nitrobenzyl)2methyl4nitro1Himidazole5thiolate
3((4ETHOXY3NITROPHENYL)METHYL)2METHYL5NITROIMIDAZOLE4THIOLATE
3(4ETHOXY3NITROBENZYL)2METHYL5NITRO3HIMIDAZOLE4THIOLANION
ammonium1(4ethoxy3nitrobenzyl)2methyl4nitro1Himidazole5thiolate
CCOC1=C(C=C(C=C1)CN2C(=NC(=C2(S))(N+)(=O)(O))C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))Cn1c(C)nc(c1(S))(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))Cn1c(C)nc(c1(S))(N+)(=O)(O)(NH4+)
InChI=1SC13H14N4O5Sc132211549(610(11)16(18)19)7158(2)1412(13(15)23)17(20)21h4623H37H212H3p1
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