Vitas-M small molecule compound
(5E)-2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-5-(4-fluorobenzylidene)-1,3-thiazolidin-4-one
Catalog ID
STK993597
SMILES Fc1ccc(cc1)/C=C\1/SC(NC1=O)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 C30H26FN3OS MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26FN3OS/c31-24-16-14-21(15-17-24)19-26-29(35)32-30(36-26)34-28(22-10-5-2-6-11-22)25-13-7-12-23(27(25)33-34)18-20-8-3-1-4-9-20/h1-6,8-11,14-19,25,28,30H,7,12-13H2,(H,32,35)/b23-18+,26-19+InChIKey
NHAGSWMTBWSXMX-APZPCHNMSA-NSynonyms
(5E)2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)5(4fluorobenzylidene)13thiazolidin4one
(5E)2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)5((4fluorophenyl)methylidene)13thiazolidin4one
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C4NC(=O)C(=CC5=CC=C(C=C5)F)S4)C6=CC=CC=C6
Fc1ccc(cc1)C=C1SC(NC1=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC30H26FN3OSc3124161421(151724)192629(35)3230(3626)3428(22105261122)251371223(27(25)3334)18208314920h168111419252830H71213H2(H3235)b2318+2619+
MFCD18184913
ZINC000107898701
ZINC000245256067
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