Vitas-M small molecule compound
1-{2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
Catalog ID
STK993738
SMILES CCOc1ccc(cc1)C1C2CCCCC2=NN1c1nc(c(s1)C(=O)C)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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-4-26-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-24(19)21-22-13(2)20(27-21)14(3)25/h9-12,17,19H,4-8H2,1-3H3InChIKey
IKIVPWYLLJCLOA-UHFFFAOYSA-NSynonyms
1(2(3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)4methyl13thiazol5yl)ethanone
1(2(3(4ethoxyphenyl)33a4567hexahydroindazol2yl)4methyl13thiazol5yl)ethanone
CCOC1=CC=C(C=C1)C2C3CCCCC3=NN2C4=NC(=C(S4)C(=O)C)C
InChI=1SC21H25N3O2Sc14261611915(101216)1917756818(17)2324(19)212213(2)20(2721)14(3)25h9121719H48H213H3
MFCD02725549
ZINC000004931367
ZINC000004931382
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