Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxyphenyl)-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
STK816099
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)OC)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 C30H25N5O3S MW 535.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3S/c1-3-17-38-25-15-11-21(12-16-25)28-31-30-35(33-28)29(36)26(39-30)18-22-19-34(23-7-5-4-6-8-23)32-27(22)20-9-13-24(37-2)14-10-20/h4-16,18-19H,3,17H2,1-2H3/b26-18-InChIKey
YYTKAZTUXJAALW-ITYLOYPMSA-NSynonyms
(5Z)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4METHOXYPHENYL)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)OC)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)OC)c1ccccc1)c2=O
InChI=1SC30H25N5O3Sc13173825151121(121625)28313035(3328)29(36)26(3930)18221934(237546823)3227(22)2091324(372)141020h4161819H317H212H3b2618
MFCD03497675
ZINC000097946551
ZINC97946551
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