Vitas-M small molecule compound
2-chloro-6-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 2-nitrobenzenesulfonate
Catalog ID
STK382185
SMILES CCOc1cc(cc(c1OS(=O)(=O)c1ccccc1[N+](=O)[O-])Cl)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 C19H19ClN2O7S2 MW 486.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O7S2/c1-2-28-16-12-13(19(30)21-7-9-27-10-8-21)11-14(20)18(16)29-31(25,26)17-6-4-3-5-15(17)22(23)24/h3-6,11-12H,2,7-10H2,1H3InChIKey
JORROWXZQVCEPK-UHFFFAOYSA-NSynonyms
(2CHLORO6ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)2NITROBENZENESULFONATE
2chloro6ethoxy4(morpholin4ylcarbonothioyl)phenyl2nitrobenzenesulfonate
2CHLORO6ETHOXY4(MORPHOLIN4YLTHIOXOMETHYL)PHENYL2NITROBENZENESULFONATE
CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
CCOc1cc(cc(c1OS(=O)(=O)c1ccccc1(N+)(=O)(O))Cl)C(=S)N1CCOCC1
InChI=1SC19H19ClN2O7S2c1228161213(19(30)21792710821)1114(20)18(16)2931(2526)17643515(17)22(23)24h361112H2710H21H3
MFCD02581154
ZINC000008722408
ZINC08722408
ZINC8722408
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