Vitas-M small molecule compound
2-isothiocyanato-1-methyl-4-nitrobenzene
Catalog ID
STK502591
SMILES S=C=Nc1cc(ccc1C)[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/c1-6-2-3-7(10(11)12)4-8(6)9-5-13/h2-4H,1H3InChIKey
IQINAWYOKXCYQO-UHFFFAOYSA-NSynonyms
86317-36-42isothiocyanato1methyl4nitrobenzene
2METHYL5NITROBENZENISOTHIOCYANATE
2METHYL5NITROPHENYLISOTHIOCYANATE
86317364
BENZENE2ISOTHIOCYANATO1METHYL4NITRO
CC1=C(C=C(C=C1)(N+)(=O)(O))N=C=S
InChI=1SC8H6N2O2Sc16237(10(11)12)48(6)9513h24H1H3
MFCD00060549
S=C=Nc1cc(ccc1C)(N+)(=O)(O)
ZINC000000335470
ZINC00335470
ZINC335470
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