Vitas-M small molecule compound
(2Z)-6-(4-methylbenzyl)-2-{[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK706582
SMILES Cc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1cn(nc1c1ccc3c(c1)cccc3)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 C33H23N5O2S MW 553.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N5O2S/c1-21-11-13-22(14-12-21)17-28-31(39)34-33-38(35-28)32(40)29(41-33)19-26-20-37(27-9-3-2-4-10-27)36-30(26)25-16-15-23-7-5-6-8-24(23)18-25/h2-16,18-20H,17H2,1H3/b29-19-InChIKey
PLTSGYDQRWKWJZ-CEUNXORHSA-NSynonyms
(2Z)6((4METHYLPHENYL)METHYL)2((3NAPHTHALEN2YL1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methylbenzyl)2((3(naphthalen2yl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)6(4methylbenzyl)2((3(naphthalen2yl)1phenyl1Hpyrazol4yl)methylene)2Hthiazolo(32b)(124)triazine37dione
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)SC3=NC2=O
Cc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cn(nc1c1ccc3c(c1)cccc3)c1ccccc1)c2=O
InChI=1SC33H23N5O2Sc121111322(141221)172831(39)343338(3528)32(40)29(4133)19262037(2793241027)3630(26)25161523756824(23)1825h2161820H17H21H3b2919
MFCD03535603
ZINC000001878844
ZINC01878844
ZINC1878844
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.