Vitas-M small molecule compound
3-{[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK480205
SMILES OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)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 C20H22Cl2N2O3 MW 409.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl2N2O3/c21-15-4-1-12(9-16(15)22)11-23-5-7-24(8-6-23)19(25)17-13-2-3-14(10-13)18(17)20(26)27/h1-4,9,13-14,17-18H,5-8,10-11H2,(H,26,27)InChIKey
KZRCQJRZZOWBOO-UHFFFAOYSA-NSynonyms
2(4((34DICHLOROPHENYL)METHYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4((34DICHLOROPHENYL)METHYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((4(34dichlorobenzyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC20H22Cl2N2O3c21154112(916(15)22)11235724(8623)19(25)17132314(1013)18(17)20(26)27h14913141718H581011H2(H2627)
MFCD06063491
ZINC000100795467
ZINC000239135290
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