Vitas-M small molecule compound
ethyl 2-[(7E)-7-benzylidene-3-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK993725
SMILES CCOC(=O)c1sc(nc1C)n1nc2c(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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c1-3-32-26(31)25-18(2)28-27(33-25)30-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)29-30)17-19-11-6-4-7-12-19/h4-9,11-14,17H,3,10,15-16H2,1-2H3/b21-17+InChIKey
KZQIDUNFFDSPRA-HEHNFIMWSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5)C
CCOC(=O)c1sc(nc1C)n1nc2c(c1c1ccccc1)CCCC2=Cc1ccccc1
ethyl2((7E)7benzylidene3phenyl4567tetrahydro2Hindazol2yl)4methyl13thiazole5carboxylate
ethyl2((7E)7benzylidene3phenyl56dihydro4Hindazol2yl)4methyl13thiazole5carboxylate
InChI=1SC27H25N3O2Sc133226(31)2518(2)2827(3325)3024(20138591420)2216101521(23(22)2930)1719116471219h49111417H3101516H212H3b2117+
MFCD18184991
ZINC000051330429
ZINC51330429
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