Vitas-M small molecule compound
2-[(6-{(1E)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)carbamoyl]cyclohexanecarboxylic acid
Catalog ID
STK424248
SMILES O=C(CC12CC3CC(C2)CC(C1)C3)N/N=C(/c1cc2OCOc2cc1NC(=O)C1CCCCC1C(=O)O)\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 C29H37N3O6 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O6/c1-16(31-32-26(33)14-29-11-17-6-18(12-29)8-19(7-17)13-29)22-9-24-25(38-15-37-24)10-23(22)30-27(34)20-4-2-3-5-21(20)28(35)36/h9-10,17-21H,2-8,11-15H2,1H3,(H,30,34)(H,32,33)(H,35,36)/b31-16+InChIKey
RPPXYKTVBZYCDY-WCMJOSRZSA-NSynonyms
2((6((1E)1(2(tricyclo(3311~37~)dec1ylacetyl)hydrazinylidene)ethyl)13benzodioxol5yl)carbamoyl)cyclohexanecarboxylicacid
2((6((E)N((2(1adamantyl)acetyl)amino)Cmethylcarbonimidoyl)13benzodioxol5yl)carbamoyl)cyclohexane1carboxylicacid
2(N(6((1E)2(2ADAMANTANYLACETYLAMINO)1METHYL2AZAVINYL)2HBENZO(D)13DIOXOLEN5YL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC5=C(C=C4NC(=O)C6CCCCC6C(=O)O)OCO5
InChI=1SC29H37N3O6c116(313226(33)14291117618(1229)819(717)1329)2292425(38153724)1023(22)3027(34)20423521(20)28(35)36h9101721H281115H21H3(H3034)(H3233)(H3536)b3116+
O=C(CC12CC3CC(C2)CC(C1)C3)NN=C(c1cc2OCOc2cc1NC(=O)C1CCCCC1C(=O)O)C
ZINC000020158063
ZINC000020158070
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.