Vitas-M small molecule compound
2-{[2-(azepan-1-ylsulfonyl)ethyl](pyridin-2-ylmethyl)carbamoyl}benzoic acid
Catalog ID
STL235877
SMILES O=C(c1ccccc1C(=O)O)N(Cc1ccccn1)CCS(=O)(=O)N1CCCCCC1
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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 C22H27N3O5S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5S/c26-21(19-10-3-4-11-20(19)22(27)28)24(17-18-9-5-6-12-23-18)15-16-31(29,30)25-13-7-1-2-8-14-25/h3-6,9-12H,1-2,7-8,13-17H2,(H,27,28)InChIKey
JRWXRGMWOMADDD-UHFFFAOYSA-NSynonyms
921056-19-12((2(azepan1ylsulfonyl)ethyl)(pyridin2ylmethyl)carbamoyl)benzoicacid
2(2(azepan1ylsulfonyl)ethyl(pyridin2ylmethyl)carbamoyl)benzoicacid
921056191
C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=CC=N2)C(=O)C3=CC=CC=C3C(=O)O
InChI=1SC22H27N3O5Sc2621(1910341120(19)22(27)28)24(1718956122318)151631(2930)251371281425h36912H12781317H2(H2728)
MFCD08743701
ZINC000009060721
ZINC9060721
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