Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-{2-[(4-chlorophenyl)sulfanyl]ethyl}-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058657
SMILES Clc1ccc(cc1)SCCn1c([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 C22H16ClN4O2S2 MW 467.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O2S2/c1-13-20-17(12-19(28)26(13)10-11-30-15-8-6-14(23)7-9-15)25-27(21(20)29)22-24-16-4-2-3-5-18(16)31-22/h2-9,12,28H,10-11H2,1H3/p-1InChIKey
MRUBERIUUSTAMC-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)5(2((4chlorophenyl)sulfanyl)ethyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)5(2(4chlorophenyl)sulfanylethyl)4methyl3oxopyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCSC5=CC=C(C=C5)Cl)(O)
Clc1ccc(cc1)SCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
Clc1ccc(cc1)SCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
InChI=1SC22H17ClN4O2S2c1132017(1219(28)26(13)101130158614(23)7915)2527(21(20)29)222416423518(16)3122h291228H1011H21H3p1
sodium2(benzo(d)thiazol2yl)5(2((4chlorophenyl)thio)ethyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012390192
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