Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-(4-methoxybenzyl)-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058705
SMILES COc1ccc(cc1)Cn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
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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 C22H17N4O3S MW 417.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-13-20-17(11-19(27)25(13)12-14-7-9-15(29-2)10-8-14)24-26(21(20)28)22-23-16-5-3-4-6-18(16)30-22/h3-11,27H,12H2,1-2H3/p-1InChIKey
KZABBMUHNRFHGR-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)5((4methoxyphenyl)methyl)4methyl3oxopyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)5(4methoxybenzyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=C(C=C5)OC)(O)
COc1ccc(cc1)Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
COc1ccc(cc1)Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
InChI=1SC22H18N4O3Sc1132017(1119(27)25(13)12147915(292)10814)2426(21(20)28)222316534618(16)3022h31127H12H212H3p1
sodium2(benzo(d)thiazol2yl)5(4methoxybenzyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012389357
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