Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL043138
SMILES [O-]c1cc2nn(c(=O)c2c(n1Cc1cccnc1)C)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 C20H14N5O2S MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O2S/c1-12-18-15(9-17(26)24(12)11-13-5-4-8-21-10-13)23-25(19(18)27)20-22-14-6-2-3-7-16(14)28-20/h2-10,26H,11H2,1H3/p-1InChIKey
FLLOONVSCQEIOR-UHFFFAOYSA-MSynonyms
(O)c1cc2nn(c(=O)c2c(n1Cc1cccnc1)C)c1nc2c(s1)cccc2
(O)c1cc2nn(c(=O)c2c(n1Cc1cccnc1)C)c1nc2c(s1)cccc2(Na+)
2(13benzothiazol2yl)4methyl3oxo5(pyridin3ylmethyl)35dihydro2Hpyrazolo(43c)pyridin6olate
2(13BENZOTHIAZOL2YL)4METHYL3OXO5(PYRIDIN3YLMETHYL)PYRAZOLO(43C)PYRIDIN6OLATE
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CN=CC=C5)(O)
InChI=1SC20H15N5O2Sc1121815(917(26)24(12)1113548211013)2325(19(18)27)202214623716(14)2820h21026H11H21H3p1
sodium2(benzo(d)thiazol2yl)4methyl3oxo5(pyridin3ylmethyl)35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000101535568
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