Vitas-M small molecule compound
2-[2-(1,3-benzothiazol-2-yl)-4-methyl-5-(morpholin-4-yl)-3,6-dioxo-2,3,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl]-N-(3,4-dichlorophenyl)acetamide
Catalog ID
STL448587
SMILES O=C(Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)N1CCOCC1)Nc1ccc(c(c1)Cl)Cl
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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 C26H22Cl2N6O4S MW 585.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N6O4S/c1-15-24-20(13-23(36)33(15)31-8-10-38-11-9-31)32(14-22(35)29-16-6-7-17(27)18(28)12-16)34(25(24)37)26-30-19-4-2-3-5-21(19)39-26/h2-7,12-13H,8-11,14H2,1H3,(H,29,35)InChIKey
RIIJLXHORMLVQJ-UHFFFAOYSA-NSynonyms
2(2(13benzothiazol2yl)4methyl5(morpholin4yl)36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)N(34dichlorophenyl)acetamide
2(2(13benzothiazol2yl)4methyl5morpholin4yl36dioxopyrazolo(43c)pyridin1yl)N(34dichlorophenyl)acetamide
CC1=C2C(=CC(=O)N1N3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC(=O)NC6=CC(=C(C=C6)Cl)Cl
InChI=1SC26H22Cl2N6O4Sc1152420(1323(36)33(15)318103811931)32(1422(35)29166717(27)18(28)1216)34(25(24)37)263019423521(19)3926h271213H81114H21H3(H2935)
MFCD07774024
ZINC000101378134
ZINC101378134
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