Vitas-M small molecule compound
(2E)-4-oxo-4-[(6-{(1E)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)amino]but-2-enoic acid
Catalog ID
STK424335
SMILES C/C(=N\NC(=O)CC12CC3CC(C2)CC(C1)C3)/c1cc2OCOc2cc1NC(=O)/C=C/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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-14(27-28-23(30)12-25-9-15-4-16(10-25)6-17(5-15)11-25)18-7-20-21(34-13-33-20)8-19(18)26-22(29)2-3-24(31)32/h2-3,7-8,15-17H,4-6,9-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)/b3-2+,27-14+InChIKey
WMQNRXDHOREIBC-XSXLHIAQSA-NSynonyms
(2E)3(N(6((1E)2(2ADAMANTANYLACETYLAMINO)1METHYL2AZAVINYL)(2HBENZO(D)13DIOXOLEN5YL))CARBAMOYL)PROP2ENOICACID
(2E)4oxo4((6((1E)1(2(tricyclo(3311~37~)dec1ylacetyl)hydrazinylidene)ethyl)13benzodioxol5yl)amino)but2enoicacid
(E)4((6((E)N((2(1adamantyl)acetyl)amino)Cmethylcarbonimidoyl)13benzodioxol5yl)amino)4oxobut2enoicacid
CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC5=C(C=C4NC(=O)C=CC(=O)O)OCO5
CC(=NNC(=O)CC12CC3CC(C2)CC(C1)C3)c1cc2OCOc2cc1NC(=O)C=CC(=O)O
InChI=1SC25H29N3O6c114(272823(30)1225915416(1025)617(515)1125)1872021(34133320)819(18)2622(29)2324(31)32h23781517H46913H21H3(H2629)(H2830)(H3132)b32+2714+
ZINC000020158050
ZINC96465730
Check stock
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Check stock on Vitas-MAvailable files
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