Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 2-nitrobenzenesulfonate
Catalog ID
STL383038
SMILES COc1ccc(cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=S)N1CCOCC1
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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 C18H18N2O7S2 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O7S2/c1-25-15-7-6-13(18(28)19-8-10-26-11-9-19)12-16(15)27-29(23,24)17-5-3-2-4-14(17)20(21)22/h2-7,12H,8-11H2,1H3InChIKey
BMOBMBIFXACZJK-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY5(4MORPHOLINYLCARBONOTHIOYL)PHENYL2NITROBENZENESULFONATE
2methoxy5(morpholin4ylcarbonothioyl)phenyl2nitrobenzenesulfonate
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1ccc(cc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC18H18N2O7S2c125157613(18(28)198102611919)1216(15)2729(2324)17532414(17)20(21)22h2712H811H21H3
MFCD02581040
ZINC000002986494
ZINC02986494
ZINC2986494
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