Vitas-M small molecule compound
N-[3-(4-chlorophenyl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
Catalog ID
STL233501
SMILES COc1ccc(cc1)S(=O)(=O)NC(C(=O)N1CCC2(C(C1)CCCC2)O)Cc1ccc(cc1)Cl
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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 C25H31ClN2O5S MW 507.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN2O5S/c1-33-21-9-11-22(12-10-21)34(31,32)27-23(16-18-5-7-20(26)8-6-18)24(29)28-15-14-25(30)13-3-2-4-19(25)17-28/h5-12,19,23,27,30H,2-4,13-17H2,1H3InChIKey
BRLXVACIWXCCKZ-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)N3CCC4(CCCCC4C3)O
COc1ccc(cc1)S(=O)(=O)N(C@H)(C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O)Cc1ccc(cc1)Cl
InChI=1SC25H31ClN2O5Sc1332191122(121021)34(3132)2723(16185720(26)8618)24(29)28151425(30)1332419(25)1728h51219232730H241317H21H3
MFCD24858368
N((S)3(4chlorophenyl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)4methoxybenzenesulfonamide
N(1(4ahydroxy13456788aoctahydroisoquinolin2yl)3(4chlorophenyl)1oxopropan2yl)4methoxybenzenesulfonamide
N(3(4chlorophenyl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)4methoxybenzenesulfonamide
ZINC000016007626
ZINC000247892988
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