Vitas-M small molecule compound
1-isocyanato-2-methyl-3-nitrobenzene
Catalog ID
STK502632
SMILES S=C=Nc1cccc(c1C)[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 C8H6N2O2S MW 194.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O2S/c1-6-7(9-5-13)3-2-4-8(6)10(11)12/h2-4H,1H3InChIKey
LQXPQPDCGJQJGW-UHFFFAOYSA-NSynonyms
956576-79-71ISOTHIOCYANATO2METHYL3NITROBENZENE
2METHYL3NITROPHENYLISOTHIOCYANATE
956576797
CC1=C(C=CC=C1(N+)(=O)(O))N=C=S
InChI=1SC8H6N2O2Sc167(9513)3248(6)10(11)12h24H1H3
MFCD09800826
S=C=Nc1cccc(c1C)(N+)(=O)(O)
ZINC000015443860
ZINC15443860
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