Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-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
STK704094
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)F)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 C30H24FN5O3S MW 553.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24FN5O3S/c1-3-15-39-23-12-9-19(10-13-23)28-32-30-36(34-28)29(37)26(40-30)17-21-18-35(22-7-5-4-6-8-22)33-27(21)20-11-14-25(38-2)24(31)16-20/h4-14,16-18H,3,15H2,1-2H3/b26-17-InChIKey
PFTNGTBFXKXEMA-ONUIUJJFSA-NSynonyms
(5Z)5((3(3fluoro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3FLUORO4METHOXYPHENYL)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)F)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)F)OC)c1ccccc1)c2=O
InChI=1SC30H24FN5O3Sc1315392312919(101323)28323036(3428)29(37)26(4030)17211835(227546822)3327(21)20111425(382)24(31)1620h4141618H315H212H3b2617
MFCD03534567
ZINC000097946604
ZINC97946604
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