Vitas-M small molecule compound

2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate

Catalog ID
STL384012
SMILES COc1cc(cc(c1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC)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 C20H19N3O9S MW 477.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O9S/c1-29-16-9-12(19(33)21-3-5-31-6-4-21)10-17(30-2)18(16)32-20(24)13-7-14(22(25)26)11-15(8-13)23(27)28/h7-11H,3-6H2,1-2H3
InChIKey
RHOIYUJIVUFNKS-UHFFFAOYSA-N
Synonyms

(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
26dimethoxy4(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
35DINITROBENZOICACID26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N3CCOCC3
COc1cc(cc(c1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N1CCOCC1
InChI=1SC20H19N3O9Sc12916912(19(33)2135316421)1017(302)18(16)3220(24)13714(22(25)26)1115(813)23(27)28h711H36H212H3
MFCD01062352
ZINC000006906071
ZINC06906071
ZINC6906071

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Available files

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