Vitas-M small molecule compound
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL313615
SMILES COc1cc(ccc1OC)c1nc(c(s1)C(=O)N1CCC2(C(C1)CCCC2)O)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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-14-19(21(25)24-11-10-22(26)9-5-4-6-16(22)13-24)29-20(23-14)15-7-8-17(27-2)18(12-15)28-3/h7-8,12,16,26H,4-6,9-11,13H2,1-3H3InChIKey
WFNKZUGJHSXOPC-UHFFFAOYSA-NSynonyms
(2(34dimethoxyphenyl)4methyl13thiazol5yl)(4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(2(34dimethoxyphenyl)4methylthiazol5yl)((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(2(34dimethoxyphenyl)4methyl13thiazol5yl)methanone
CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N3CCC4(CCCCC4C3)O
COc1cc(ccc1OC)c1nc(c(s1)C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O)C
InChI=1SC22H28N2O4Sc11419(21(25)24111022(26)954616(22)1324)2920(2314)157817(272)18(1215)283h78121626H4691113H213H3
MFCD28030212
ZINC000079480404
ZINC000095475679
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