Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl 4-nitrobenzoate
Catalog ID
STK758484
SMILES Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1)[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 C19H17BrN2O4S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4S/c20-14-6-9-17(16(12-14)18(27)21-10-2-1-3-11-21)26-19(23)13-4-7-15(8-5-13)22(24)25/h4-9,12H,1-3,10-11H2InChIKey
DSFSQQNYTUEVRA-UHFFFAOYSA-NSynonyms
(4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYL)4NITROBENZOATE
4BROMO2(1PIPERIDINYLCARBOTHIOYL)PHENYL4NITROBENZOATE
4bromo2(piperidin1ylcarbonothioyl)phenyl4nitrobenzoate
4BROMO2(PIPERIDYLTHIOXOMETHYL)PHENYL4NITROBENZOATE
4NITROBENZOICACID4BROMO2(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H17BrN2O4Sc20146917(16(1214)18(27)21102131121)2619(23)134715(8513)22(24)25h4912H131011H2
MFCD01062303
ZINC000000705992
ZINC00705992
ZINC705992
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