Vitas-M small molecule compound
1-isothiocyanato-4-methyl-2-nitrobenzene
Catalog ID
STK448968
SMILES S=C=Nc1ccc(cc1[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 C8H6N2O2S MW 194.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O2S/c1-6-2-3-7(9-5-13)8(4-6)10(11)12/h2-4H,1H3InChIKey
CUQUTWSUXWDJKF-UHFFFAOYSA-NSynonyms
17614-74-317614743
1isothiocyanato4methyl2nitrobenzene
4METHY2NITROPHENYLISOTHIOCYANATE
4METHYL2NITROBENZENISOTHIOCYANATE
4METHYL2NITROPHENYLISOTHIOCYANATE
BENZENE1ISOTHIOCYANATO4METHYL2NITRO
CC1=CC(=C(C=C1)N=C=S)(N+)(=O)(O)
InChI=1SC8H6N2O2Sc16237(9513)8(46)10(11)12h24H1H3
MFCD00041248
S=C=Nc1ccc(cc1(N+)(=O)(O))C
ZINC000004269006
ZINC04269006
ZINC4269006
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