Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(thiophen-2-ylmethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058663
SMILES O=c1n(nc2c1c(C)n(c(c2)[O-])Cc1cccs1)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 C19H13N4O2S2 MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O2S2/c1-11-17-14(9-16(24)22(11)10-12-5-4-8-26-12)21-23(18(17)25)19-20-13-6-2-3-7-15(13)27-19/h2-9,24H,10H2,1H3/p-1InChIKey
VPKWQIDMOLUAFY-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)4methyl3oxo5(thiophen2ylmethyl)35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)4methyl3oxo5(thiophen2ylmethyl)pyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CS5)(O)
InChI=1SC19H14N4O2S2c1111714(916(24)22(11)10125482612)2123(18(17)25)192013623715(13)2719h2924H10H21H3p1
O=c1n(nc2c1c(C)n(c(c2)(O))Cc1cccs1)c1nc2c(s1)cccc2
O=c1n(nc2c1c(C)n(c(c2)(O))Cc1cccs1)c1nc2c(s1)cccc2(Na+)
sodium2(benzo(d)thiazol2yl)4methyl3oxo5(thiophen2ylmethyl)35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000101512306
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