Vitas-M small molecule compound
2-{[2-(azepan-1-ylsulfonyl)ethyl](pyridin-4-ylmethyl)carbamoyl}benzoic acid
Catalog ID
STL232219
SMILES OC(=O)c1ccccc1C(=O)N(Cc1ccncc1)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(19-7-3-4-8-20(19)22(27)28)24(17-18-9-11-23-12-10-18)15-16-31(29,30)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-17H2,(H,27,28)InChIKey
OVIUGAIKTGOVHU-UHFFFAOYSA-NSynonyms
921056-10-22((2(azepan1ylsulfonyl)ethyl)(pyridin4ylmethyl)carbamoyl)benzoicacid
2(2(azepan1ylsulfonyl)ethyl(pyridin4ylmethyl)carbamoyl)benzoicacid
921056102
C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI=1SC22H27N3O5Sc2621(19734820(19)22(27)28)24(171891123121018)151631(2930)251351261425h34712H12561317H2(H2728)
MFCD08749467
ZINC000009344704
ZINC9344704
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