Vitas-M small molecule compound
3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK435338
SMILES OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)c1cccc(c1C)C)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 C21H26N2O3 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3/c1-13-4-3-5-17(14(13)2)22-8-10-23(11-9-22)20(24)18-15-6-7-16(12-15)19(18)21(25)26/h3-7,15-16,18-19H,8-12H2,1-2H3,(H,25,26)InChIKey
AGIRRZZOODJSLQ-UHFFFAOYSA-NSynonyms
2(4(23DIMETHYLPHENYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4(23dimethylphenyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
3((4(23DIMETHYLPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC21H26N2O3c11343517(14(13)2)2281023(11922)20(24)18156716(1215)19(18)21(25)26h3715161819H812H212H3(H2526)
MFCD03379105
ZINC000101277276
ZINC000238997439
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