Vitas-M small molecule compound
(5Z)-5-{[3-(4-fluorophenyl)-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
STK816309
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)F)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 C29H22FN5O2S MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN5O2S/c1-2-16-37-24-14-10-20(11-15-24)27-31-29-35(33-27)28(36)25(38-29)17-21-18-34(23-6-4-3-5-7-23)32-26(21)19-8-12-22(30)13-9-19/h3-15,17-18H,2,16H2,1H3/b25-17-InChIKey
OAQXAEREVCFRNU-UQQQWYQISA-NSynonyms
(5Z)5((3(4fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4FLUOROPHENYL)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)F)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)F)c1ccccc1)c2=O
InChI=1SC29H22FN5O2Sc12163724141020(111524)27312935(3327)28(36)25(3829)17211834(236435723)3226(21)1981222(30)13919h3151718H216H21H3b2517
MFCD03497663
ZINC000097946575
ZINC97946575
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