Vitas-M small molecule compound
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815924
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccccc1)c1ccccc1)/c2=O
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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 C29H23N5O2S MW 505.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2S/c1-2-17-36-24-15-13-21(14-16-24)27-30-29-34(32-27)28(35)25(37-29)18-22-19-33(23-11-7-4-8-12-23)31-26(22)20-9-5-3-6-10-20/h3-16,18-19H,2,17H2,1H3/b25-18-InChIKey
SWLLOMVCLIBRBD-BWAHOGKJSA-NSynonyms
(5Z)5((13diphenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccccc1)c1ccccc1)c2=O
InChI=1SC29H23N5O2Sc12173624151321(141624)27302934(3227)28(35)25(3729)18221933(23117481223)3126(22)2095361020h3161819H217H21H3b2518
MFCD03497659
ZINC000016732917
ZINC16732917
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