Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800722
SMILES COc1ccccc1c1nn2c(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 C29H21N5O4S MW 535.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O4S/c1-36-22-10-6-5-9-21(22)27-30-29-34(32-27)28(35)25(39-29)16-19-17-33(20-7-3-2-4-8-20)31-26(19)18-11-12-23-24(15-18)38-14-13-37-23/h2-12,15-17H,13-14H2,1H3/b25-16-InChIKey
JCECEWIDSPWSNI-XYGWBWBKSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)2(2methoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(2METHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7)SC3=N2
COc1ccccc1c1nn2c(n1)sc(=Cc1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)c2=O
InChI=1SC29H21N5O4Sc136221065921(22)27302934(3227)28(35)25(3929)16191733(207324820)3126(19)1811122324(1518)3814133723h2121517H1314H21H3b2516
MFCD04447172
ZINC000003637422
ZINC3637422
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