Vitas-M small molecule compound
{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetic acid
Catalog ID
STL323663
SMILES COc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1SCC(=O)O)[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 C14H14N4O7S MW 382.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O7S/c1-8-15-13(18(23)24)14(26-7-12(19)20)16(8)6-9-3-4-11(25-2)10(5-9)17(21)22/h3-5H,6-7H2,1-2H3,(H,19,20)InChIKey
XEJOAPYQLZDCBX-UHFFFAOYSA-NSynonyms
330819-48-2((1(4methoxy3nitrobenzyl)2methyl4nitro1Himidazol5yl)sulfanyl)aceticacid
2((1(4methoxy3nitrobenzyl)2methyl4nitro1Himidazol5yl)thio)aceticacid
2(3((4METHOXY3NITROPHENYL)METHYL)2METHYL5NITROIMIDAZOL4YL)SULFANYLACETICACID
330819482
CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)(N+)(=O)(O))SCC(=O)O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))Cn1c(C)nc(c1SCC(=O)O)(N+)(=O)(O)
InChI=1SC14H14N4O7Sc181513(18(23)24)14(26712(19)20)16(8)693411(252)10(59)17(21)22h35H67H212H3(H1920)
MFCD00294189
ZINC000006444641
ZINC6444641
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