Vitas-M small molecule compound

2,6-dibromo-4-(piperidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate

Catalog ID
STL382852
SMILES Brc1cc(cc(c1OC(=O)c1cccc(c1)[N+](=O)[O-])Br)C(=S)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 C19H16Br2N2O4S MW 528.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Br2N2O4S/c20-15-10-13(18(28)22-7-2-1-3-8-22)11-16(21)17(15)27-19(24)12-5-4-6-14(9-12)23(25)26/h4-6,9-11H,1-3,7-8H2
InChIKey
GFKCOKGDVLPYEW-UHFFFAOYSA-N
Synonyms

(26DIBROMO4(PIPERIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
26dibromo4(piperidin1ylcarbonothioyl)phenyl3nitrobenzoate
3NITROBENZOICACID26DIBROMO4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
Brc1cc(cc(c1OC(=O)c1cccc(c1)(N+)(=O)(O))Br)C(=S)N1CCCCC1
C1CCN(CC1)C(=S)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))Br
InChI=1SC19H16Br2N2O4Sc20151013(18(28)227213822)1116(21)17(15)2719(24)1254614(912)23(25)26h46911H1378H2
MFCD01062169
ZINC000100543627
ZINC100543627

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Available files

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