Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-(4-fluorobenzyl)-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL043134
SMILES Fc1ccc(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 C21H14FN4O2S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O2S/c1-12-19-16(10-18(27)25(12)11-13-6-8-14(22)9-7-13)24-26(20(19)28)21-23-15-4-2-3-5-17(15)29-21/h2-10,27H,11H2,1H3/p-1InChIKey
QSOCAIDYMMDKHB-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)5((4fluorophenyl)methyl)4methyl3oxopyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)5(4fluorobenzyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=C(C=C5)F)(O)
Fc1ccc(cc1)Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
Fc1ccc(cc1)Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
InChI=1SC21H15FN4O2Sc1121916(1018(27)25(12)11136814(22)9713)2426(20(19)28)212315423517(15)2921h21027H11H21H3p1
sodium2(benzo(d)thiazol2yl)5(4fluorobenzyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012389658
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