Vitas-M small molecule compound
[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methyl-1,3-thiazol-5-yl)methanone
Catalog ID
STK302138
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1scnc1C
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-17-26(34-16-28-17)27(31)30-25(19-9-13-22(33-3)14-10-19)23-6-4-5-20(24(23)29-30)15-18-7-11-21(32-2)12-8-18/h7-16,23,25H,4-6H2,1-3H3/b20-15+InChIKey
HGLNKNXKPDBIBR-HMMYKYKNSA-NSynonyms
1164505-47-8((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4METHYL13THIAZOL5YL)METHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(4methyl13thiazol5yl)methanone
1164505478
CC1=C(SC=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)OC)C3=N2)C5=CC=C(C=C5)OC
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1scnc1C
InChI=1SC27H27N3O3Sc11726(34162817)27(31)3025(1991322(333)141019)2364520(24(23)2930)151871121(322)12818h7162325H46H213H3b2015+
MFCD03467237
ZINC000008455605
ZINC000008455608
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