Vitas-M small molecule compound
2-isothiocyanato-1-methoxy-4-nitrobenzene
Catalog ID
STK502592
SMILES S=C=Nc1cc(ccc1OC)[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 C8H6N2O3S MW 210.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O3S/c1-13-8-3-2-6(10(11)12)4-7(8)9-5-14/h2-4H,1H3InChIKey
QVOHAYVRNBCJDV-UHFFFAOYSA-NSynonyms
71793-51-62isothiocyanato1methoxy4nitrobenzene
2METHOXY5NITROBENZENISOTHIOCYANATE
2METHOXY5NITROPHENYLISOTHIOCYANATE
71793516
BENZENE2ISOTHIOCYANATO1METHOXY4NITRO
COC1=C(C=C(C=C1)(N+)(=O)(O))N=C=S
InChI=1SC8H6N2O3Sc1138326(10(11)12)47(8)9514h24H1H3
MFCD00060634
S=C=Nc1cc(ccc1OC)(N+)(=O)(O)
ZINC000002528185
ZINC02528185
ZINC2528185
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