Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STL382923
SMILES Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
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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 C19H16BrN3O6S MW 494.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN3O6S/c20-13-4-5-17(16(10-13)18(30)21-6-2-1-3-7-21)29-19(24)12-8-14(22(25)26)11-15(9-12)23(27)28/h4-5,8-11H,1-3,6-7H2InChIKey
VMNBJKNBNIHETB-UHFFFAOYSA-NSynonyms
(4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
35DINITROBENZOICACID4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
4bromo2(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H16BrN3O6Sc20134517(16(1013)18(30)216213721)2919(24)12814(22(25)26)1115(912)23(27)28h45811H1367H2
MFCD01062305
ZINC000008671251
ZINC08671251
ZINC8671251
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