Vitas-M small molecule compound

4-chloro-N-{2-[(2-methylbenzyl)sulfanyl]ethyl}-3-(morpholin-4-ylsulfonyl)benzamide

Catalog ID
STL102251
SMILES O=C(c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl)NCCSCc1ccccc1C

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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 C21H25ClN2O4S2 MW 469.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S2/c1-16-4-2-3-5-18(16)15-29-13-8-23-21(25)17-6-7-19(22)20(14-17)30(26,27)24-9-11-28-12-10-24/h2-7,14H,8-13,15H2,1H3,(H,23,25)
InChIKey
XYRQBFYADAIKQV-UHFFFAOYSA-N
Synonyms

4CHLORANYLN(2((2METHYLPHENYL)METHYLSULFANYL)ETHYL)3MORPHOLIN4YLSULFONYLBENZAMIDE
4CHLORON(2((2METHYLBENZYL)SULFANYL)ETHYL)3(4MORPHOLINYLSULFONYL)BENZAMIDE
4chloroN(2((2methylbenzyl)sulfanyl)ethyl)3(morpholin4ylsulfonyl)benzamide
4CHLORON(2((2METHYLBENZYL)THIO)ETHYL)3MORPHOLINOSULFONYLBENZAMIDE
4CHLORON(2((2METHYLPHENYL)METHYLSULFANYL)ETHYL)3MORPHOLIN4YLSULFONYLBENZAMIDE
4CHLORON(2((2METHYLPHENYL)METHYLTHIO)ETHYL)3(4MORPHOLINYLSULFONYL)BENZAMIDE
CC1=CC=CC=C1CSCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3
InChI=1SC21H25ClN2O4S2c116423518(16)15291382321(25)176719(22)20(1417)30(2627)2491128121024h2714H81315H21H3(H2325)
MFCD05740810
ZINC000002146449
ZINC02146449
ZINC2146449

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Available files

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