Vitas-M small molecule compound

sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide

Catalog ID
STK328616
SMILES COC(=O)Cn1c(=O)cc2c(c1C)c(=O)n([n-]2)c1nc2c(s1)cccc2.[Na+]

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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 C17H13N4NaO4S MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O4S.Na/c1-9-15-11(7-13(22)20(9)8-14(23)25-2)19-21(16(15)24)17-18-10-5-3-4-6-12(10)26-17;/h3-7H,8H2,1-2H3,(H,19,22);/q;+1/p-1
InChIKey
UDEQCJBSQGZXHF-UHFFFAOYSA-M
Synonyms

CC1=C2C(=CC(=O)N1CC(=O)OC)(N)N(C2=O)C3=NC4=CC=CC=C4S3(Na+)
COC(=O)Cn1c(=O)cc2c(c1C)c(=O)n((n)2)c1nc2c(s1)cccc2(Na+)
InChI=1SC17H14N4O4SNac191511(713(22)20(9)814(23)252)1921(16(15)24)171810534612(10)2617h37H8H212H3(H1922)q+1p1
METHYL2(2BENZOTHIAZOL2YL4METHYL36DIOXO5HYDRO3PYRAZOLINO(43C)PYRIDIN5YL)ACETATESODIUMSALT
MFCD06242288
sodium2(13benzothiazol2yl)5(2methoxy2oxoethyl)4methyl36dioxo2356tetrahydropyrazolo(43c)pyridin1ide
SODIUM2(13BENZOTHIAZOL2YL)5(2METHOXY2OXOETHYL)4METHYL3OXO35DIHYDRO2HPYRAZOLO(43C)PYRIDIN6OLATE
SODIUMMETHYL2(2(13BENZOTHIAZOL2YL)4METHYL36DIOXOPYRAZOLO(43C)PYRIDIN1ID5YL)ACETATE

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Available files

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