Vitas-M small molecule compound
1-isothiocyanato-2-methyl-4-nitrobenzene
Catalog ID
STK502590
SMILES S=C=Nc1ccc(cc1C)[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/c1-6-4-7(10(11)12)2-3-8(6)9-5-13/h2-4H,1H3InChIKey
JEWJPETZSUMXII-UHFFFAOYSA-NSynonyms
135805-96-8135805968
1isothiocyanato2methyl4nitrobenzene
2METHYL4NITROBENZENISOTHIOCYANATE
2METHYL4NITROPHENYLISOTHIOCYANATE
BENZENE1ISOTHIOCYANATO2METHYL4NITRO
CC1=C(C=CC(=C1)(N+)(=O)(O))N=C=S
InChI=1SC8H6N2O2Sc1647(10(11)12)238(6)9513h24H1H3
MFCD00060542
S=C=Nc1ccc(cc1C)(N+)(=O)(O)
ZINC000004269003
ZINC04269003
ZINC4269003
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