Vitas-M small molecule compound
2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
Catalog ID
STK993601
SMILES Fc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)F)c1nc(c(s1)C(=O)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 C25H21F2N3O2S MW 465.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F2N3O2S/c1-14-23(24(31)32)33-25(28-14)30-22(16-7-11-19(27)12-8-16)20-4-2-3-17(21(20)29-30)13-15-5-9-18(26)10-6-15/h5-13,20,22H,2-4H2,1H3,(H,31,32)/b17-13+InChIKey
CPHYKHVTMGKAGT-GHRIWEEISA-NSynonyms
2((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)4METHYL13THIAZOLE5CARBOXYLICACID
2((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)4methyl13thiazole5carboxylicacid
CC1=C(SC(=N1)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F)C(=O)O
Fc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)F)c1nc(c(s1)C(=O)O)C
InChI=1SC25H21F2N3O2Sc11423(24(31)32)3325(2814)3022(1671119(27)12816)2042317(21(20)2930)13155918(26)10615h5132022H24H21H3(H3132)b1713+
MFCD02725560
ZINC000012576280
ZINC000012576300
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