Vitas-M small molecule compound
2-[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
Catalog ID
STK993646
SMILES OC(=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 C25H23N3O2S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2S/c1-16-23(24(29)30)31-25(26-16)28-22(18-11-6-3-7-12-18)20-14-8-13-19(21(20)27-28)15-17-9-4-2-5-10-17/h2-7,9-12,15,20,22H,8,13-14H2,1H3,(H,29,30)/b19-15-InChIKey
FUBCIUTVAFXUQW-CYVLTUHYSA-NSynonyms
2((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)4methyl13thiazole5carboxylicacid
2((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)4methyl13thiazole5carboxylicacid
CC1=C(SC(=N1)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5)C(=O)O
InChI=1SC25H23N3O2Sc11623(24(29)30)3125(2616)2822(18116371218)201481319(21(20)2728)151794251017h27912152022H81314H21H3(H2930)b1915
MFCD18184942
OC(=O)c1sc(nc1C)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000033777342
ZINC000051330193
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