Vitas-M small molecule compound
3-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}-6-bromo-2H-chromen-2-one
Catalog ID
STK721800
SMILES Brc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)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 C32H24BrN3O2S MW 594.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24BrN3O2S/c33-24-14-15-28-23(17-24)18-26(31(37)38-28)27-19-39-32(34-27)36-30(21-10-5-2-6-11-21)25-13-7-12-22(29(25)35-36)16-20-8-3-1-4-9-20/h1-6,8-11,14-19,25,30H,7,12-13H2/b22-16+InChIKey
JXGIBAXFHLPEMJ-CJLVFECKSA-NSynonyms
(Z)3(2(7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)thiazol4yl)6bromo2Hchromen2one
3(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)13thiazol4yl)6bromo2Hchromen2one
3(2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)13thiazol4yl)6bromochromen2one
Brc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C4=NC(=CS4)C5=CC6=C(C=CC(=C6)Br)OC5=O)C7=CC=CC=C7
InChI=1SC32H24BrN3O2Sc332414152823(1724)1826(31(37)3828)27193932(3427)3630(21105261121)251371222(29(25)3536)16208314920h1681114192530H71213H2b2216+
MFCD13371693
ZINC000008386708
ZINC000008386712
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