Vitas-M small molecule compound
3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK463412
SMILES OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)C/C=C/c1ccccc1)O2
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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 C21H24N2O4 MW 368.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4/c24-20(18-16-8-9-17(27-16)19(18)21(25)26)23-13-11-22(12-14-23)10-4-7-15-5-2-1-3-6-15/h1-9,16-19H,10-14H2,(H,25,26)/b7-4+InChIKey
JFUOZIQMCIFVJZ-QPJJXVBHSA-NSynonyms
2(4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBONYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4((2E)3phenylprop2en1yl)piperazin1yl)carbonyl)7oxabicyclo(221)hept5ene2carboxylicacid
3((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC21H24N2O4c2420(18168917(2716)19(18)21(25)26)23131122(121423)1047155213615h191619H1014H2(H2526)b74+
MFCD00587567
OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)CC=Cc1ccccc1)O2
ZINC000225635182
ZINC000245227567
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