Vitas-M small molecule compound

N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide

Catalog ID
STL349142
SMILES COc1ccc(cc1)S(=O)(=O)NC(C(=O)N1CCC2(C(C1)CCCC2)O)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 C24H30N2O5S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O5S/c1-31-20-10-12-21(13-11-20)32(29,30)25-22(18-7-3-2-4-8-18)23(27)26-16-15-24(28)14-6-5-9-19(24)17-26/h2-4,7-8,10-13,19,22,25,28H,5-6,9,14-17H2,1H3
InChIKey
AGSUEVZKEZMOLO-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)N3CCC4(CCCCC4C3)O
COc1ccc(cc1)S(=O)(=O)N(C@H)(C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O)c1ccccc1
InChI=1SC24H30N2O5Sc13120101221(131120)32(2930)2522(187324818)23(27)26161524(28)1465919(24)1726h2478101319222528H5691417H21H3
MFCD28032621
N((S)2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxo1phenylethyl)4methoxybenzenesulfonamide
N(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxo1phenylethyl)4methoxybenzenesulfonamide
N(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxo1phenylethyl)4methoxybenzenesulfonamide
ZINC000004295493
ZINC000245309051

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Available files

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