Vitas-M small molecule compound

methyl 6-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydroquinoline-1(2H)-carboxylate

Catalog ID
STK271952
SMILES COC(=O)N1CCCc2c1ccc(c2)S(=O)(=O)N1CCN(CC1)c1ccccc1

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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-28-21(25)24-11-5-6-17-16-19(9-10-20(17)24)29(26,27)23-14-12-22(13-15-23)18-7-3-2-4-8-18/h2-4,7-10,16H,5-6,11-15H2,1H3
InChIKey
ZTCLTZWCLYPBOH-UHFFFAOYSA-N
Synonyms

COC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC21H25N3O4Sc12821(25)241156171619(91020(17)24)29(2627)23141222(131523)187324818h2471016H561115H21H3
methyl6((4phenylpiperazin1yl)sulfonyl)34dihydroquinoline1(2H)carboxylate
METHYL6(4PHENYLPIPERAZIN1YL)SULFONYL34DIHYDRO2HQUINOLINE1CARBOXYLATE
MFCD06013830
ZINC000001432327
ZINC01432327
ZINC1432327

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Available files

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