Vitas-M small molecule compound
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STL249964
SMILES COc1cc(ccc1OC)c1scc(n1)CC(=O)N1CCC2(C(C1)CCCC2)O
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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-27-18-7-6-15(11-19(18)28-2)21-23-17(14-29-21)12-20(25)24-10-9-22(26)8-4-3-5-16(22)13-24/h6-7,11,14,16,26H,3-5,8-10,12-13H2,1-2H3InChIKey
VUTRBKHFLZBUJQ-UHFFFAOYSA-NSynonyms
1(4ahydroxy13456788aoctahydroisoquinolin2yl)2(2(34dimethoxyphenyl)13thiazol4yl)ethanone
2(2(34dimethoxyphenyl)13thiazol4yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
2(2(34dimethoxyphenyl)thiazol4yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCC4(CCCCC4C3)O)OC
COc1cc(ccc1OC)c1scc(n1)CC(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC22H28N2O4Sc127187615(1119(18)282)212317(142921)1220(25)2410922(26)843516(22)1324h6711141626H358101213H212H3
MFCD24861702
ZINC000072404255
ZINC000080337103
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