Vitas-M small molecule compound
sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-[2-(morpholin-4-yl)ethyl]-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide
Catalog ID
STK328614
SMILES O=c1cc2[n-]n(c(=O)c2c(n1CCN1CCOCC1)C)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 C20H20N5NaO3S MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S.Na/c1-13-18-15(12-17(26)24(13)7-6-23-8-10-28-11-9-23)22-25(19(18)27)20-21-14-4-2-3-5-16(14)29-20;/h2-5,12H,6-11H2,1H3,(H,22,26);/q;+1/p-1InChIKey
WEUWMQKQQXWEFQ-UHFFFAOYSA-MSynonyms
2BENZOTHIAZOL2YL4METHYL5(2MORPHOLIN4YLETHYL)5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONESODIUMSALT
CC1=C2C(=CC(=O)N1CCN3CCOCC3)(N)N(C2=O)C4=NC5=CC=CC=C5S4(Na+)
InChI=1SC20H21N5O3SNac1131815(1217(26)24(13)76238102811923)2225(19(18)27)202114423516(14)2920h2512H611H21H3(H2226)q+1p1
MFCD06754521
O=c1cc2(n)n(c(=O)c2c(n1CCN1CCOCC1)C)c1nc2c(s1)cccc2(Na+)
sodium2(13benzothiazol2yl)4methyl5(2(morpholin4yl)ethyl)36dioxo2356tetrahydropyrazolo(43c)pyridin1ide
sodium2(13benzothiazol2yl)4methyl5(2morpholin4ylethyl)pyrazolo(43c)pyridin1ide36dione
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