Vitas-M small molecule compound
3-{[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK334550
SMILES CCOc1ccccc1N1CCN(CC1)C(=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 C21H26N2O4 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4/c1-2-27-17-6-4-3-5-16(17)22-9-11-23(12-10-22)20(24)18-14-7-8-15(13-14)19(18)21(25)26/h3-8,14-15,18-19H,2,9-13H2,1H3,(H,25,26)InChIKey
FQOJSLBXORXPIR-UHFFFAOYSA-NSynonyms
2(4(2ETHOXYPHENYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4(2ethoxyphenyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
3((4(2ETHOXYPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H26N2O4c122717643516(17)2291123(121022)20(24)18147815(1314)19(18)21(25)26h3814151819H2913H21H3(H2526)
MFCD01351881
ZINC000100898276
ZINC000239046420
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