Vitas-M small molecule compound

4-[({[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL160017
SMILES COc1cc(ccc1OC)c1ccc(=O)n(n1)CC(=O)NCC1CCC(CC1)C(=O)O

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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 C22H27N3O6 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6/c1-30-18-9-7-16(11-19(18)31-2)17-8-10-21(27)25(24-17)13-20(26)23-12-14-3-5-15(6-4-14)22(28)29/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,23,26)(H,28,29)
InChIKey
HZICPWWKCSMTCD-UHFFFAOYSA-N
Synonyms
1246052-25-4
(1r4r)4((2(3(34dimethoxyphenyl)6oxopyridazin1(6H)yl)acetamido)methyl)cyclohexanecarboxylicacid
1246052254
4((((3(34dimethoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2(3(34dimethoxyphenyl)6oxopyridazin1yl)acetyl)amino)methyl)cyclohexane1carboxylicacid
COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3CCC(CC3)C(=O)O)OC
COc1cc(ccc1OC)c1ccc(=O)n(n1)CC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O
InChI=1SC22H27N3O6c130189716(1119(18)312)1781021(27)25(2417)1320(26)2312143515(6414)22(28)29h7111415H361213H212H3(H2326)(H2829)
MFCD20758872
ZINC000049546536
ZINC101679909
ZINC49546536

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Available files

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