Vitas-M small molecule compound

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

Catalog ID
STL382842
SMILES S=C(c1ccccc1OC(=O)c1ccc(cc1[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(13-6-5-12(20(23)24)11-15(13)21(25)26)28-16-4-2-1-3-14(16)17(29)19-7-9-27-10-8-19/h1-6,11H,7-10H2
InChIKey
IRYBJZCBJVYTBL-UHFFFAOYSA-N
Synonyms

(2(MORPHOLINE4CARBOTHIOYL)PHENYL)24DINITROBENZOATE
2(morpholin4ylcarbonothioyl)phenyl24dinitrobenzoate
24DINITROBENZOICACID2(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15N3O7Sc2218(136512(20(23)24)1115(13)21(25)26)2816421314(16)17(29)19792710819h1611H710H2
MFCD01062440
S=C(c1ccccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))N1CCOCC1
ZINC000013590266
ZINC13590266

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Available files

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