Vitas-M small molecule compound

3-{[(4-chlorophenyl)sulfonyl]amino}-3-(4-propoxyphenyl)propanoic acid

Catalog ID
STK680242
SMILES CCCOc1ccc(cc1)C(NS(=O)(=O)c1ccc(cc1)Cl)CC(=O)O

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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 C18H20ClNO5S MW 397.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO5S/c1-2-11-25-15-7-3-13(4-8-15)17(12-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,17,20H,2,11-12H2,1H3,(H,21,22)
InChIKey
LCASIQKJTKZQGV-UHFFFAOYSA-N
Synonyms

3(((4chlorophenyl)sulfonyl)amino)3(4propoxyphenyl)propanoicacid
3((4CHLOROPHENYL)SULFONYLAMINO)3(4PROPOXYPHENYL)PROPANOICACID
CCCOC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI=1SC18H20ClNO5Sc121125157313(4815)17(1218(21)22)2026(2324)169514(19)61016h3101720H21112H21H3(H2122)
MFCD03767023
ZINC000003623677
ZINC000003623679

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Available files

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