Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800412
SMILES Cc1cccc(c1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc3c(c1)OCCO3)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 C29H21N5O3S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O3S/c1-18-6-5-7-20(14-18)27-30-29-34(32-27)28(35)25(38-29)16-21-17-33(22-8-3-2-4-9-22)31-26(21)19-10-11-23-24(15-19)37-13-12-36-23/h2-11,14-17H,12-13H2,1H3/b25-16-InChIKey
QHNSHNAHKVZMCP-XYGWBWBKSA-NSynonyms
889999-04-6(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)2(3methylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(3METHYLPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(23dihydrobenzo(b)(14)dioxin6yl)1phenyl1Hpyrazol4yl)methylene)2(mtolyl)thiazolo(32b)(124)triazol6(5H)one
889999046
CC1=CC=CC(=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7)SC3=N2
Cc1cccc(c1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)c2=O
InChI=1SC29H21N5O3Sc11865720(1418)27302934(3227)28(35)25(3829)16211733(228324922)3126(21)1910112324(1519)3713123623h2111417H1213H21H3b2516
MFCD04021920
ZINC000002337261
ZINC02337261
ZINC2337261
Check stock
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Check stock on Vitas-MAvailable files
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