Vitas-M small molecule compound

4-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate

Catalog ID
STL384009
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c23-19(14-10-15(21(24)25)12-16(11-14)22(26)27)28-17-6-4-13(5-7-17)18(29)20-8-2-1-3-9-20/h4-7,10-12H,1-3,8-9H2
InChIKey
HQEKAMYOJNUXFB-UHFFFAOYSA-N
Synonyms

(4(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
35DINITROBENZOICACID4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
4(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
4(PIPERIDYLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H17N3O6Sc2319(141015(21(24)25)1216(1114)22(26)27)28176413(5717)18(29)208213920h471012H1389H2
MFCD01062153
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C(=S)N1CCCCC1
ZINC000004725836
ZINC04725836
ZINC4725836

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Available files

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