Vitas-M small molecule compound
2-methyl-1-[(3-methylphenyl)sulfanyl]-3,5-dinitrobenzene
Catalog ID
STK733975
SMILES Cc1cccc(c1)Sc1cc(cc(c1C)[N+](=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 C14H12N2O4S MW 304.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O4S/c1-9-4-3-5-12(6-9)21-14-8-11(15(17)18)7-13(10(14)2)16(19)20/h3-8H,1-2H3InChIKey
WTWKEQGWRCYOOG-UHFFFAOYSA-NSynonyms
2methyl1((3methylphenyl)sulfanyl)35dinitrobenzene
2METHYL1(3METHYLPHENYL)SULFANYL35DINITROBENZENE
2METHYL3(3METHYLPHENYLTHIO)15DINITROBENZENE
CC1=CC(=CC=C1)SC2=CC(=CC(=C2C)(N+)(=O)(O))(N+)(=O)(O)
Cc1cccc(c1)Sc1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H12N2O4Sc1943512(69)2114811(15(17)18)713(10(14)2)16(19)20h38H12H3
MFCD01427461
ZINC000003617041
ZINC03617041
ZINC3617041
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