Vitas-M small molecule compound
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424174
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)c1cc(Cl)ccc1C)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 C20H25ClN2O3 MW 376.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN2O3/c1-12-2-5-15(21)11-16(12)22-6-8-23(9-7-22)19(24)17-13-3-4-14(10-13)18(17)20(25)26/h2,5,11,13-14,17-18H,3-4,6-10H2,1H3,(H,25,26)InChIKey
JYQRMPDBYSTUDA-UHFFFAOYSA-NSynonyms
2(4(5CHLORO2METHYLPHENYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(5chloro2methylphenyl)piperazin1yl)carbonyl)bicyclo(221)heptane2carboxylicacid
3((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC20H25ClN2O3c1122515(21)1116(12)226823(9722)19(24)17133414(1013)18(17)20(25)26h251113141718H34610H21H3(H2526)
MFCD01923357
ZINC000100620949
ZINC000138966441
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