Vitas-M small molecule compound

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

Catalog ID
STL382850
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)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 C21H23NO3S MW 369.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3S/c1-15-6-8-16(9-7-15)21(23)25-18-11-10-17(14-19(18)24-2)20(26)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3
InChIKey
JUEVYFZFTGNJHB-UHFFFAOYSA-N
Synonyms

(2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYLBENZOATE
2methoxy4(piperidin1ylcarbonothioyl)phenyl4methylbenzoate
2METHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL4METHYLBENZOATE
4METHYLBENZOICACID2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC
InChI=1SC21H23NO3Sc1156816(9715)21(23)2518111017(1419(18)242)20(26)22124351322h61114H351213H212H3
MFCD01062217
ZINC000000866289
ZINC00866289
ZINC866289

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Available files

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