Vitas-M small molecule compound
5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
Catalog ID
STK551860
SMILES CCCCOc1ccc(cc1[N+](=O)[O-])CSc1[nH]c(nc1[N+](=O)[O-])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 C15H18N4O5S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O5S/c1-3-4-7-24-13-6-5-11(8-12(13)18(20)21)9-25-15-14(19(22)23)16-10(2)17-15/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)InChIKey
BOFKDFKBPRKPOC-UHFFFAOYSA-NSynonyms
799824-64-94((4BUTOXY3NITROPHENYL)METHYLSULFANYL)2METHYL5NITRO1HIMIDAZOLE
5((4butoxy3nitrobenzyl)sulfanyl)2methyl4nitro1Himidazole
5((4butoxy3nitrobenzyl)thio)2methyl4nitro1Himidazole
5(4BUTOXY3NITROBENZYLSULFANYL)2METHYL4NITRO1HIMIDAZOLE
799824649
CCCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)(N+)(=O)(O))(N+)(=O)(O)
CCCCOc1ccc(cc1(N+)(=O)(O))CSc1(nH)c(nc1(N+)(=O)(O))C
InChI=1SC15H18N4O5Sc134724136511(812(13)18(20)21)9251514(19(22)23)1610(2)1715h568H3479H212H3(H1617)
MFCD03192809
ZINC000002238140
ZINC02238140
ZINC13003148
ZINC2238140
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