Vitas-M small molecule compound
3-[5-methyl-2-(propan-2-yl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide
Catalog ID
STL287062
SMILES Cc1ccc(c(c1)OC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])C(C)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 C17H16N2O5S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S/c1-10(2)13-6-4-11(3)8-15(13)24-17-14-7-5-12(19(20)21)9-16(14)25(22,23)18-17/h4-10H,1-3H3InChIKey
FHNRTRPCMBAYFL-UHFFFAOYSA-NSynonyms
3(5methyl2(propan2yl)phenoxy)6nitro12benzothiazole11dioxide
3(5methyl2propan2ylphenoxy)6nitro12benzothiazole11dioxide
CC1=CC(=C(C=C1)C(C)C)OC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
Cc1ccc(c(c1)OC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O))C(C)C
InChI=1SC17H16N2O5Sc110(2)136411(3)815(13)2417147512(19(20)21)916(14)25(2223)1817h410H13H3
MFCD00486261
ZINC000027495995
ZINC27495995
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