Vitas-M small molecule compound
2-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Catalog ID
STK513494
SMILES COc1cc2CN(CC(=O)Nc3ccc(cc3)F)C(Cc2cc1OC)C(=O)O
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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 C20H21FN2O5 MW 388.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O5/c1-27-17-8-12-7-16(20(25)26)23(10-13(12)9-18(17)28-2)11-19(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,16H,7,10-11H2,1-2H3,(H,22,24)(H,25,26)InChIKey
JCSCXLOIALSBFI-UHFFFAOYSA-NSynonyms
2(2((4fluorophenyl)amino)2oxoethyl)67dimethoxy1234tetrahydroisoquinoline3carboxylicacid
2(2(4FLUOROANILINO)2OXOETHYL)67DIMETHOXY34DIHYDRO1HISOQUINOLINE3CARBOXYLICACID
COC1=C(C=C2CN(C(CC2=C1)C(=O)O)CC(=O)NC3=CC=C(C=C3)F)OC
InChI=1SC20H21FN2O5c12717812716(20(25)26)23(1013(12)918(17)282)1119(24)22155314(21)4615h368916H71011H212H3(H2224)(H2526)
MFCD07021760
ZINC000004754140
ZINC000004754142
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