Vitas-M small molecule compound
sodium 2-(1,3-benzothiazol-2-yl)-4-ethyl-3,6-dioxo-5-(pyridin-2-ylmethyl)-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide
Catalog ID
STK513708
SMILES CCc1n(Cc2ccccn2)c(=O)cc2c1c(=O)n(n2[Na])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 C21H16N5NaO2S MW 425.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S.Na/c1-2-16-19-15(11-18(27)25(16)12-13-7-5-6-10-22-13)24-26(20(19)28)21-23-14-8-3-4-9-17(14)29-21;/h3-11H,2,12H2,1H3,(H,24,27);/q;+1/p-1InChIKey
QDSFRXCLNSGFDU-UHFFFAOYSA-MSynonyms
CCC1=C2C(=CC(=O)N1CC3=CC=CC=N3)(N)N(C2=O)C4=NC5=CC=CC=C5S4(Na+)
CCc1n(Cc2ccccn2)c(=O)cc2c1c(=O)n(n2(Na))c1nc2c(s1)cccc2
InChI=1SC21H17N5O2SNac12161915(1118(27)25(16)1213756102213)2426(20(19)28)212314834917(14)2921h311H212H21H3(H2427)q+1p1
MFCD13370448
sodium2(13benzothiazol2yl)4ethyl36dioxo5(pyridin2ylmethyl)2356tetrahydropyrazolo(43c)pyridin1ide
sodium2(13benzothiazol2yl)4ethyl5(pyridin2ylmethyl)pyrazolo(43c)pyridin1ide36dione
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