Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382864
SMILES Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1[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/c20-12-4-7-17(15(10-12)18(30)21-8-2-1-3-9-21)29-19(24)14-6-5-13(22(25)26)11-16(14)23(27)28/h4-7,10-11H,1-3,8-9H2InChIKey
HLTUEVQBDVNCRJ-UHFFFAOYSA-NSynonyms
(4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
4bromo2(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H16BrN3O6Sc20124717(15(1012)18(30)218213921)2919(24)146513(22(25)26)1116(14)23(27)28h471011H1389H2
MFCD01062304
ZINC000013590270
ZINC13590270
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