Vitas-M small molecule compound
2-{2-(1,3-benzothiazol-2-yl)-4-methyl-5-[3-(morpholin-4-yl)propyl]-3,6-dioxo-2,3,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-N-(3-chloro-4-fluorophenyl)acetamide
Catalog ID
STK262483
SMILES O=C(Cn1c2cc(=O)n(c(c2c(=O)n1c1nc2c(s1)cccc2)C)CCCN1CCOCC1)Nc1ccc(c(c1)Cl)F
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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 C29H28ClFN6O4S MW 611.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClFN6O4S/c1-18-27-23(16-26(39)35(18)10-4-9-34-11-13-41-14-12-34)36(17-25(38)32-19-7-8-21(31)20(30)15-19)37(28(27)40)29-33-22-5-2-3-6-24(22)42-29/h2-3,5-8,15-16H,4,9-14,17H2,1H3,(H,32,38)InChIKey
WTGPXOJWHYXEOY-UHFFFAOYSA-NSynonyms
2(2(13benzothiazol2yl)4methyl5(3(morpholin4yl)propyl)36dioxo2356tetrahydro1Hpyrazolo(43c)pyridin1yl)N(3chloro4fluorophenyl)acetamide
2(2(13benzothiazol2yl)4methyl5(3morpholin4ylpropyl)36dioxopyrazolo(43c)pyridin1yl)N(3chloro4fluorophenyl)acetamide
2(2BENZOTHIAZOL2YL4METHYL5(3MORPHOLIN4YLPROPYL)36DIOXO(5HYDRO3PYRAZOLINO(43C)PYRIDINYL))N(3CHLORO4FLUOROPHENYL)ACETAMIDE
CC1=C2C(=CC(=O)N1CCCN3CCOCC3)N(N(C2=O)C4=NC5=CC=CC=C5S4)CC(=O)NC6=CC(=C(C=C6)F)Cl
InChI=1SC29H28ClFN6O4Sc1182723(1626(39)35(18)104934111341141234)36(1725(38)32197821(31)20(30)1519)37(28(27)40)293322523624(22)4229h23581516H491417H21H3(H3238)
MFCD07774027
ZINC000098042810
ZINC98042810
Check stock
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Check stock on Vitas-MAvailable files
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