Vitas-M small molecule compound

azepan-1-yl{2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}methanone

Catalog ID
STK239079
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)N1CCN(CC1)C

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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 C19H29N3O4S MW 395.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N3O4S/c1-20-11-13-22(14-12-20)27(24,25)16-7-8-18(26-2)17(15-16)19(23)21-9-5-3-4-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3
InChIKey
OSFHCQJPSNIDCX-UHFFFAOYSA-N
Synonyms

azepan1yl(2methoxy5((4methylpiperazin1yl)sulfonyl)phenyl)methanone
AZEPAN1YL(2METHOXY5(4METHYLPIPERAZIN1YL)SULFONYLPHENYL)METHANONE
CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3
InChI=1SC19H29N3O4Sc120111322(141220)27(2425)167818(262)17(1516)19(23)21953461021h7815H36914H212H3
MFCD08072403
ZINC000035775319
ZINC35775319

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Available files

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