Vitas-M small molecule compound
1-{2-[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
Catalog ID
STK993733
SMILES CC(=O)c1sc(nc1C)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1
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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 C26H25N3OS MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3OS/c1-17-25(18(2)30)31-26(27-17)29-24(20-12-7-4-8-13-20)22-15-9-14-21(23(22)28-29)16-19-10-5-3-6-11-19/h3-8,10-13,16,22,24H,9,14-15H2,1-2H3/b21-16-InChIKey
LWCCFKSLVJUWCE-PGMHBOJBSA-NSynonyms
1(2((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)4methyl13thiazol5yl)ethanone
1(2((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)4methyl13thiazol5yl)ethanone
CC(=O)c1sc(nc1C)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
CC1=C(SC(=N1)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5)C(=O)C
InChI=1SC26H25N3OSc11725(18(2)30)3126(2717)2924(20127481320)221591421(23(22)2829)1619105361119h381013162224H91415H212H3b2116
MFCD18184998
ZINC000033389716
ZINC000051330466
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