Vitas-M small molecule compound

2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-chlorobenzoate

Catalog ID
STL382920
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)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 C20H20ClNO3S MW 389.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO3S/c1-24-18-13-15(19(26)22-11-3-2-4-12-22)7-10-17(18)25-20(23)14-5-8-16(21)9-6-14/h5-10,13H,2-4,11-12H2,1H3
InChIKey
JMKHLMUPDCXOES-UHFFFAOYSA-N
Synonyms

(2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4CHLOROBENZOATE
2methoxy4(piperidin1ylcarbonothioyl)phenyl4chlorobenzoate
2METHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL4CHLOROBENZOATE
4CHLOROBENZOICACID2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H20ClNO3Sc124181315(19(26)22113241222)71017(18)2520(23)145816(21)9614h51013H241112H21H3
MFCD01062213
ZINC000000866284
ZINC00866284
ZINC866284

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.