Vitas-M small molecule compound
3-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK480112
SMILES COc1cccc(c1)N1CCN(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 C20H24N2O4 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4/c1-26-16-4-2-3-15(12-16)21-7-9-22(10-8-21)19(23)17-13-5-6-14(11-13)18(17)20(24)25/h2-6,12-14,17-18H,7-11H2,1H3,(H,24,25)InChIKey
KUUWFNGPAWIKMU-UHFFFAOYSA-NSynonyms
2(4(3METHOXYPHENYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4(3methoxyphenyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
3((4(3METHOXYPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC20H24N2O4c1261642315(1216)217922(10821)19(23)17135614(1113)18(17)20(24)25h2612141718H711H21H3(H2425)
MFCD06066040
ZINC000100797873
ZINC000239338604
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