Vitas-M small molecule compound
N-{[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-L-phenylalanine
Catalog ID
STK716611
SMILES COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N[C@H](C(=O)O)Cc1ccccc1
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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 C27H27FN2O5 MW 478.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O5/c1-34-23-15-19-12-13-30(27(33)29-22(26(31)32)14-17-6-4-3-5-7-17)25(21(19)16-24(23)35-2)18-8-10-20(28)11-9-18/h3-11,15-16,22,25H,12-14H2,1-2H3,(H,29,33)(H,31,32)/t22-,25?/m0/s1InChIKey
ACLRKOPAEXVBEP-XADRRFQNSA-NSynonyms
956957-06-5(2S)2((1(4fluorophenyl)67dimethoxy34dihydro1Hisoquinoline2carbonyl)amino)3phenylpropanoicacid
(2S)2(1(4fluorophenyl)67dimethoxy1234tetrahydroisoquinoline2carboxamido)3phenylpropanoicacid
956957065
COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)F)OC
COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N(C@H)(C(=O)O)Cc1ccccc1
InChI=1SC27H27FN2O5c134231519121330(27(33)2922(26(31)32)14176435717)25(21(19)1624(23)352)1881020(28)11918h31115162225H1214H212H3(H2933)(H3132)t2225?m0s1
MFCD10488486
N((1(4fluorophenyl)67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)Lphenylalanine
ZINC000009410754
ZINC000009410755
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