Vitas-M small molecule compound

3-{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}propanenitrile

Catalog ID
STK722056
SMILES N#CCCSc1c(nc(n1Cc1ccc(c(c1)[N+](=O)[O-])OC)C)[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 C15H15N5O5S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N5O5S/c1-10-17-14(20(23)24)15(26-7-3-6-16)18(10)9-11-4-5-13(25-2)12(8-11)19(21)22/h4-5,8H,3,7,9H2,1-2H3
InChIKey
UPFKFKSSGOXYDM-UHFFFAOYSA-N
Synonyms
110579-04-9
110579049
3((1((4METHOXY3NITROPHENYL)METHYL)2METHYL4NITRO1HIMIDAZOL5YL)THIO)PROPANENITRILE
3((1(4methoxy3nitrobenzyl)2methyl4nitro1Himidazol5yl)sulfanyl)propanenitrile
3((1(4methoxy3nitrobenzyl)2methyl4nitro1Himidazol5yl)thio)propanenitrile
3((4NITRO1(3NITRO4METHOXYBENZYL)2METHYL1HIMIDAZOL5YL)SULFANYL)PROPANENITRILE
3(3((4METHOXY3NITROPHENYL)METHYL)2METHYL5NITROIMIDAZOL4YL)SULFANYLPROPANENITRILE
CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)(N+)(=O)(O))SCCC#N)(N+)(=O)(O)
InChI=1SC15H15N5O5Sc1101714(20(23)24)15(2673616)18(10)9114513(252)12(811)19(21)22h458H379H212H3
MFCD00371151
N#CCCSc1c(nc(n1Cc1ccc(c(c1)(N+)(=O)(O))OC)C)(N+)(=O)(O)
PROPANENITRILE3((1((4METHOXY3NITROPHENYL)METHYL)2METHYL4NITRO1HIMIDAZOL5YL)THIO)
ZINC000008397769
ZINC08397769
ZINC8397769

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Available files

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