Vitas-M small molecule compound
2-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STK757008
SMILES S=C(c1ccccc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])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(13-10-14(21(24)25)12-15(11-13)22(26)27)28-17-7-3-2-6-16(17)18(29)20-8-4-1-5-9-20/h2-3,6-7,10-12H,1,4-5,8-9H2InChIKey
NSKAFWQIZLASTP-UHFFFAOYSA-NSynonyms
(2(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2(1PIPERIDINYLCARBOTHIOYL)PHENYL35BISNITROBENZOATE
2(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
2(PIPERIDIN1YLCARBOTHIOYL)PHENYL35DINITROBENZOATE
2(PIPERIDYLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H17N3O6Sc2319(131014(21(24)25)1215(1113)22(26)27)2817732616(17)18(29)208415920h23671012H14589H2
MFCD01062286
S=C(c1ccccc1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))N1CCCCC1
ZINC000002188409
ZINC02188409
ZINC2188409
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