Vitas-M small molecule compound

5-oxo-5-[(6-{(1E)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)amino]pentanoic acid

Catalog ID
STK447551
SMILES OC(=O)CCCC(=O)Nc1cc2OCOc2cc1/C(=N/NC(=O)CC12CC3CC(C2)CC(C1)C3)/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 C26H33N3O6 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O6/c1-15(28-29-24(31)13-26-10-16-5-17(11-26)7-18(6-16)12-26)19-8-21-22(35-14-34-21)9-20(19)27-23(30)3-2-4-25(32)33/h8-9,16-18H,2-7,10-14H2,1H3,(H,27,30)(H,29,31)(H,32,33)/b28-15+
InChIKey
FWJCNSOVPLPGAM-RWPZCVJISA-N
Synonyms

4(N(6((1E)2(2ADAMANTANYLACETYLAMINO)1METHYL2AZAVINYL)2HBENZO(D)13DIOXOLEN5YL)CARBAMOYL)BUTANOICACID
5((6((E)N((2(1adamantyl)acetyl)amino)Cmethylcarbonimidoyl)13benzodioxol5yl)amino)5oxopentanoicacid
5oxo5((6((1E)1(2(tricyclo(3311~37~)dec1ylacetyl)hydrazinylidene)ethyl)13benzodioxol5yl)amino)pentanoicacid
CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC5=C(C=C4NC(=O)CCCC(=O)O)OCO5
InChI=1SC26H33N3O6c115(282924(31)13261016517(1126)718(616)1226)1982122(35143421)920(19)2723(30)32425(32)33h891618H271014H21H3(H2730)(H2931)(H3233)b2815+
OC(=O)CCCC(=O)Nc1cc2OCOc2cc1C(=NNC(=O)CC12CC3CC(C2)CC(C1)C3)C
ZINC000020158072
ZINC33693590

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Available files

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