Vitas-M small molecule compound
sodium 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide
Catalog ID
STK328618
SMILES O=c1cc2[n-]n(c(=O)c2c(n1Cc1ccc2c(c1)OCO2)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 C22H15N4NaO4S MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4S.Na/c1-12-20-15(24-26(21(20)28)22-23-14-4-2-3-5-18(14)31-22)9-19(27)25(12)10-13-6-7-16-17(8-13)30-11-29-16;/h2-9H,10-11H2,1H3,(H,24,27);/q;+1/p-1InChIKey
DJYYCHFWIYFYEP-UHFFFAOYSA-MSynonyms
5(2HBENZO(34D)13DIOXOLEN5YLMETHYL)2BENZOTHIAZOL2YL4METHYL5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONESODIUMSALT
CC1=C2C(=CC(=O)N1CC3=CC4=C(C=C3)OCO4)(N)N(C2=O)C5=NC6=CC=CC=C6S5(Na+)
InChI=1SC22H16N4O4SNac1122015(2426(21(20)28)222314423518(14)3122)919(27)25(12)1013671617(813)30112916h29H1011H21H3(H2427)q+1p1
MFCD06755320
O=c1cc2(n)n(c(=O)c2c(n1Cc1ccc2c(c1)OCO2)C)c1nc2c(s1)cccc2(Na+)
sodium5(13benzodioxol5ylmethyl)2(13benzothiazol2yl)4methyl36dioxo2356tetrahydropyrazolo(43c)pyridin1ide
sodium5(13benzodioxol5ylmethyl)2(13benzothiazol2yl)4methylpyrazolo(43c)pyridin1ide36dione
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