Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904958
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)Br)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 C31H26BrN5O3S MW 628.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN5O3S/c1-3-4-16-40-24-13-10-20(11-14-24)29-33-31-37(35-29)30(38)27(41-31)18-22-19-36(23-8-6-5-7-9-23)34-28(22)21-12-15-26(39-2)25(32)17-21/h5-15,17-19H,3-4,16H2,1-2H3/b27-18-InChIKey
YJTKQUKEPXUIAH-IMRQLAEWSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)Br)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)c2=O
InChI=1SC31H26BrN5O3Sc134164024131020(111424)29333137(3529)30(38)27(4131)18221936(238657923)3428(22)21121526(392)25(32)1721h5151719H3416H212H3b2718
MFCD03534314
ZINC000097947364
ZINC97947364
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