Vitas-M small molecule compound

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

Catalog ID
STK328612
SMILES O=c1cc2[n-]n(c(=O)c2c(n1Cc1cccnc1)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 C20H14N5NaO2S MW 411.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O2S.Na/c1-12-18-15(9-17(26)24(12)11-13-5-4-8-21-10-13)23-25(19(18)27)20-22-14-6-2-3-7-16(14)28-20;/h2-10H,11H2,1H3,(H,23,26);/q;+1/p-1
InChIKey
YRMXOFXZIOTGPS-UHFFFAOYSA-M
Synonyms

2BENZOTHIAZOL2YL4METHYL5(3PYRIDYLMETHYL)5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONESODIUMSALT
CC1=C2C(=CC(=O)N1CC3=CN=CC=C3)(N)N(C2=O)C4=NC5=CC=CC=C5S4(Na+)
InChI=1SC20H15N5O2SNac1121815(917(26)24(12)1113548211013)2325(19(18)27)202214623716(14)2820h210H11H21H3(H2326)q+1p1
MFCD06242281
O=c1cc2(n)n(c(=O)c2c(n1Cc1cccnc1)C)c1nc2c(s1)cccc2(Na+)
sodium2(13benzothiazol2yl)4methyl36dioxo5(pyridin3ylmethyl)2356tetrahydropyrazolo(43c)pyridin1ide
SODIUM2(13BENZOTHIAZOL2YL)4METHYL3OXO5(PYRIDIN3YLMETHYL)35DIHYDRO2HPYRAZOLO(43C)PYRIDIN6OLATE
SODIUM2(13BENZOTHIAZOL2YL)4METHYL5(PYRIDIN3YLMETHYL)PYRAZOLO(43C)PYRIDIN1IDE36DIONE

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.