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-5-yl}-2H-chromen-2-one
Catalog ID
STK095287
SMILES O=c1oc2ccccc2cc1c1cnc(s1)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 C32H25N3O2S MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N3O2S/c36-31-26(19-23-14-7-8-17-27(23)37-31)28-20-33-32(38-28)35-30(22-12-5-2-6-13-22)25-16-9-15-24(29(25)34-35)18-21-10-3-1-4-11-21/h1-8,10-14,17-20,25,30H,9,15-16H2/b24-18+InChIKey
RUWICQKHWKCDCC-HKOYGPOVSA-NSynonyms
3(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)13thiazol5yl)2Hchromen2one
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)13THIAZOL5YL)CHROMEN2ONE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C4=NC=C(S4)C5=CC6=CC=CC=C6OC5=O)C7=CC=CC=C7
InChI=1SC32H25N3O2Sc363126(192314781727(23)3731)28203332(3828)3530(22125261322)251691524(29(25)3435)1821103141121h18101417202530H91516H2b2418+
MFCD00564651
O=c1oc2ccccc2cc1c1cnc(s1)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
STK095287
ZINC000004257353
ZINC000004257356
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