Vitas-M small molecule compound

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

Catalog ID
STL384006
SMILES S=C(c1ccccc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])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 C18H15N3O7S MW 417.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O7S/c22-18(12-9-13(20(23)24)11-14(10-12)21(25)26)28-16-4-2-1-3-15(16)17(29)19-5-7-27-8-6-19/h1-4,9-11H,5-8H2
InChIKey
LBBMDXXYVMWJBD-UHFFFAOYSA-N
Synonyms

(2(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
2(MORPHOLIN4YLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15N3O7Sc2218(12913(20(23)24)1114(1012)21(25)26)2816421315(16)17(29)1957278619h14911H58H2
MFCD01062441
S=C(c1ccccc1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))N1CCOCC1
ZINC000013590267
ZINC13590267

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Available files

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