Vitas-M small molecule compound
2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STL382856
SMILES COc1cc(cc(c1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC)C(=S)N1CCCCC1
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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 C21H21N3O8S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O8S/c1-30-17-10-13(20(33)22-6-4-3-5-7-22)11-18(31-2)19(17)32-21(25)14-8-15(23(26)27)12-16(9-14)24(28)29/h8-12H,3-7H2,1-2H3InChIKey
LKYJWBVFSPDRSP-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
26dimethoxy4(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
COC1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N3CCCCC3
COc1cc(cc(c1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N1CCCCC1
InChI=1SC21H21N3O8Sc130171013(20(33)226435722)1118(312)19(17)3221(25)14815(23(26)27)1216(914)24(28)29h812H37H212H3
MFCD01062191
ZINC000006906069
ZINC06906069
ZINC6906069
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