Vitas-M small molecule compound

4-chloro-N-(5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-nitrobenzamide

Catalog ID
STK786413
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Nc1nn(c2c1c(C)c(Cl)c(n2)C)C

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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 C16H13Cl2N5O3 MW 394.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N5O3/c1-7-12-14(21-22(3)15(12)19-8(2)13(7)18)20-16(24)9-4-5-10(17)11(6-9)23(25)26/h4-6H,1-3H3,(H,20,21,24)
InChIKey
XPNLIDYNXNMJLX-UHFFFAOYSA-N
Synonyms

4chloroN(5chloro146trimethyl1Hpyrazolo(34b)pyridin3yl)3nitrobenzamide
4chloroN(5chloro146trimethylpyrazolo(34b)pyridin3yl)3nitrobenzamide
CC1=C2C(=NN(C2=NC(=C1Cl)C)C)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC16H13Cl2N5O3c171214(2122(3)15(12)198(2)13(7)18)2016(24)94510(17)11(69)23(25)26h46H13H3(H202124)
MFCD08532403
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Nc1nn(c2c1c(C)c(Cl)c(n2)C)C
ZINC000012444809
ZINC12444809

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Available files

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