Vitas-M small molecule compound

4-chloro-N-[1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)propan-2-yl]benzenesulfonamide

Catalog ID
STL441706
SMILES Clc1ccc(cc1)S(=O)(=O)NC(C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C20H22ClN3O4S MW 435.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4S/c1-13(22-29(27,28)17-7-5-16(21)6-8-17)20(26)23-10-14-9-15(12-23)18-3-2-4-19(25)24(18)11-14/h2-8,13-15,22H,9-12H2,1H3
InChIKey
GGBYNLHNGPXDBB-UHFFFAOYSA-N
Synonyms

4chloroN(1oxo1(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)benzenesulfonamide
CC(C(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI=1SC20H22ClN3O4Sc113(2229(2728)177516(21)6817)20(26)231014915(1223)1832419(25)24(18)1114h28131522H912H21H3
MFCD08273406
ZINC000033435721
ZINC000033435722

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Available files

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