Vitas-M small molecule compound

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

Catalog ID
STL384005
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)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 C18H15N3O7S MW 417.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O7S/c22-18(13-9-14(20(23)24)11-15(10-13)21(25)26)28-16-3-1-12(2-4-16)17(29)19-5-7-27-8-6-19/h1-4,9-11H,5-8H2
InChIKey
PAAJRBBRLLARCY-UHFFFAOYSA-N
Synonyms

(4(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
35DINITROBENZOICACID4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
4(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
4(MORPHOLIN4YLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
C1COCCN1C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15N3O7Sc2218(13914(20(23)24)1115(1013)21(25)26)28163112(2416)17(29)1957278619h14911H58H2
MFCD01062320
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C(=S)N1CCOCC1
ZINC000013151972
ZINC13151972

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Available files

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