Vitas-M small molecule compound
(5Z)-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704098
SMILES CCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OCC=C)c1ccccc1)/s2
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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 C32H27N5O3S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O3S/c1-3-18-39-26-14-10-22(11-15-26)29-24(21-36(34-29)25-8-6-5-7-9-25)20-28-31(38)37-32(41-28)33-30(35-37)23-12-16-27(17-13-23)40-19-4-2/h3,5-17,20-21H,1,4,18-19H2,2H3/b28-20-InChIKey
YHPSUSSMKLFYCO-RRAHZORUSA-NSynonyms
(5Z)5((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC=C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OCC=C)c1ccccc1)s2
InChI=1SC32H27N5O3Sc13183926141022(111526)2924(2136(3429)258657925)202831(38)3732(4128)3330(3537)23121627(171323)401942h35172021H141819H22H3b2820
MFCD03534833
ZINC000097946673
ZINC97946673
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