Vitas-M small molecule compound
2-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382816
SMILES S=C(c1ccccc1OC(=O)c1ccc(cc1[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(14-9-8-13(21(24)25)12-16(14)22(26)27)28-17-7-3-2-6-15(17)18(29)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2InChIKey
YZRTUIAZQZHPLR-UHFFFAOYSA-NSynonyms
(2(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
2(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
2(PIPERIDYLTHIOXOMETHYL)PHENYL24DINITROBENZOATE
24DINITROBENZOICACID2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H17N3O6Sc2319(149813(21(24)25)1216(14)22(26)27)2817732615(17)18(29)20104151120h236912H1451011H2
MFCD01062285
S=C(c1ccccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))N1CCCCC1
ZINC000004725839
ZINC04725839
ZINC4725839
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