Vitas-M small molecule compound

1-{5-chloro-4-[(2-methoxybenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid

Catalog ID
STK594285
SMILES COc1ccccc1CNc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3

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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 C23H26ClN3O4 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O4/c1-31-18-5-3-2-4-15(18)11-25-17-12-26-27(21(28)20(17)24)23-9-13-6-14(10-23)8-16(7-13)19(23)22(29)30/h2-5,12-14,16,19,25H,6-11H2,1H3,(H,29,30)
InChIKey
WJOCXUOKWOQEME-UHFFFAOYSA-N
Synonyms
1024286-85-8
(1S2R3S5R7S)1(5chloro4((2methoxybenzyl)amino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4((2methoxybenzyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4((2METHOXYPHENYL)METHYLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024286858
COC1=CC=CC=C1CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl
InChI=1SC23H26ClN3O4c13118532415(18)112517122627(21(28)20(17)24)23913614(1023)816(713)19(23)22(29)30h251214161925H611H21H3(H2930)
MFCD06603905
ZINC000101278820
ZINC000245312615

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Available files

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