Vitas-M small molecule compound
(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816097
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)C)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 C30H25N5O2S MW 519.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O2S/c1-3-17-37-25-15-13-22(14-16-25)28-31-30-35(33-28)29(36)26(38-30)18-23-19-34(24-7-5-4-6-8-24)32-27(23)21-11-9-20(2)10-12-21/h4-16,18-19H,3,17H2,1-2H3/b26-18-InChIKey
LYOHDSIEWVTWRS-ITYLOYPMSA-NSynonyms
(5Z)5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)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)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)c2=O
InChI=1SC30H25N5O2Sc13173725151322(141625)28313035(3328)29(36)26(3830)18231934(247546824)3227(23)2111920(2)101221h4161819H317H212H3b2618
MFCD03497655
ZINC000016733065
ZINC16733065
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