Vitas-M small molecule compound

2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-bromobenzoate

Catalog ID
STL382844
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1)Br)OC)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 C21H22BrNO4S MW 464.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO4S/c1-25-17-12-15(20(28)23-10-4-3-5-11-23)13-18(26-2)19(17)27-21(24)14-6-8-16(22)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey
OZARPIQJZPUECX-UHFFFAOYSA-N
Synonyms

(26DIMETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4BROMOBENZOATE
26dimethoxy4(piperidin1ylcarbonothioyl)phenyl4bromobenzoate
26DIMETHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL4BROMOBENZOATE
4BROMOBENZOICACID26DIMETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)Br)OC)C(=S)N3CCCCC3
InChI=1SC21H22BrNO4Sc125171215(20(28)23104351123)1318(262)19(17)2721(24)146816(22)9714h691213H351011H212H3
MFCD01062195
ZINC000000866277
ZINC00866277
ZINC866277

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Available files

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