Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK813018
SMILES COc1ccc(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 C28H20BrN5O3S MW 586.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN5O3S/c1-36-21-11-8-17(9-12-21)26-30-28-34(32-26)27(35)24(38-28)15-19-16-33(20-6-4-3-5-7-20)31-25(19)18-10-13-23(37-2)22(29)14-18/h3-16H,1-2H3/b24-15-InChIKey
YTWBZIYWGFTNKW-IWIPYMOSSA-NSynonyms
623935-05-7(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4methoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4METHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
5((3(3BROMO4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2(4METHOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
623935057
COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)Br)C6=CC=CC=C6)SC3=N2
COc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)c2=O
InChI=1SC28H20BrN5O3Sc1362111817(91221)26302834(3226)27(35)24(3828)15191633(206435720)3125(19)18101323(372)22(29)1418h316H12H3b2415
MFCD03534311
ZINC000100847425
ZINC100847425
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.