Vitas-M small molecule compound
3,3'-(butane-1,4-diyldicarbamoyl)bisbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK453568
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)NCCCCNC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C22H28N2O6 MW 416.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O6/c25-19(15-11-3-5-13(9-11)17(15)21(27)28)23-7-1-2-8-24-20(26)16-12-4-6-14(10-12)18(16)22(29)30/h3-6,11-18H,1-2,7-10H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)InChIKey
AJOOLUPABXIBLF-UHFFFAOYSA-NSynonyms
2(4((3CARBOXYBICYCLO(221)HEPT5ENE2CARBONYL)AMINO)BUTYLCARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(N(4((3CARBOXYBICYCLO(221)HEPT5EN2YL)CARBONYLAMINO)BUTYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
33(butane14diyldicarbamoyl)bisbicyclo(221)hept5ene2carboxylicacid
C1C2C=CC1C(C2C(=O)NCCCCNC(=O)C3C4CC(C3C(=O)O)C=C4)C(=O)O
InChI=1SC22H28N2O6c2519(15113513(911)17(15)21(27)28)2371282420(26)16124614(1012)18(16)22(29)30h361118H12710H2(H2325)(H2426)(H2728)(H2930)
MFCD03759252
ZINC000238997488
ZINC000238997491
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