Vitas-M small molecule compound

1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiol

Catalog ID
STK747306
SMILES COc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1S)[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 C12H12N4O5S MW 324.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O5S/c1-7-13-11(16(19)20)12(22)14(7)6-8-3-4-10(21-2)9(5-8)15(17)18/h3-5,22H,6H2,1-2H3
InChIKey
DLWFVNCQQNGXPD-UHFFFAOYSA-N
Synonyms
77952-71-7
1(4methoxy3nitrobenzyl)2methyl4nitro1Himidazole5thiol
3((4METHOXY3NITROPHENYL)METHYL)2METHYL5NITROIMIDAZOLE4THIOL
3(4METHOXY3NITROBENZYL)2METHYL5NITRO3HIMIDAZOLE4THIOL
4NITRO1(3NITRO4METHOXYBENZYL)2METHYL5SULFANYL1HIMIDAZOLE
77952717
CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)(N+)(=O)(O))S)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))Cn1c(C)nc(c1S)(N+)(=O)(O)
InChI=1SC12H12N4O5Sc171311(16(19)20)12(22)14(7)683410(212)9(58)15(17)18h3522H6H212H3
MFCD00300199
ZINC000001776094
ZINC01776094
ZINC1776094

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Available files

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