Vitas-M small molecule compound
sodium 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(4-methylpiperazin-1-yl)-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide
Catalog ID
STK513706
SMILES CCc1n(N2CCN(CC2)C)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 C20H21N6NaO2S MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O2S.Na/c1-3-15-18-14(12-17(27)26(15)24-10-8-23(2)9-11-24)22-25(19(18)28)20-21-13-6-4-5-7-16(13)29-20;/h4-7,12H,3,8-11H2,1-2H3,(H,22,27);/q;+1/p-1InChIKey
UUHGHFWPDOVCGP-UHFFFAOYSA-MSynonyms
CCC1=C2C(=CC(=O)N1N3CCN(CC3)C)(N)N(C2=O)C4=NC5=CC=CC=C5S4(Na+)
CCc1n(N2CCN(CC2)C)c(=O)cc2c1c(=O)n(n2(Na))c1nc2c(s1)cccc2
InChI=1SC20H22N6O2SNac13151814(1217(27)26(15)2410823(2)91124)2225(19(18)28)202113645716(13)2920h4712H3811H212H3(H2227)q+1p1
MFCD13370446
sodium2(13benzothiazol2yl)4ethyl5(4methylpiperazin1yl)36dioxo2356tetrahydropyrazolo(43c)pyridin1ide
sodium2(13benzothiazol2yl)4ethyl5(4methylpiperazin1yl)pyrazolo(43c)pyridin1ide36dione
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