Vitas-M small molecule compound
(2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK823928
SMILES Cc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1cn(nc1c1ccccc1)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 C29H21N5O2S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O2S/c1-19-12-14-20(15-13-19)16-24-27(35)30-29-34(31-24)28(36)25(37-29)17-22-18-33(23-10-6-3-7-11-23)32-26(22)21-8-4-2-5-9-21/h2-15,17-18H,16H2,1H3/b25-17-InChIKey
QIRHDBQNKYJQQO-UQQQWYQISA-NSynonyms
(2Z)2((13diphenyl1Hpyrazol4yl)methylidene)6(4methylbenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((13diphenylpyrazol4yl)methylidene)6((4methylphenyl)methyl)(13)thiazolo(32b)(124)triazine37dione
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)SC3=NC2=O
Cc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cn(nc1c1ccccc1)c1ccccc1)c2=O
InChI=1SC29H21N5O2Sc119121420(151319)162427(35)302934(3124)28(36)25(3729)17221833(23106371123)3226(22)218425921h2151718H16H21H3b2517
MFCD03535599
ZINC000026779465
ZINC26779465
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