Vitas-M small molecule compound
N-{(2S)-1-[(2-fluorophenyl)amino]-1-oxo-3-phenylpropan-2-yl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STK644048
SMILES COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccccc1F)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 C27H28FN3O4 MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O4/c1-34-24-15-19-12-13-31(17-20(19)16-25(24)35-2)27(33)30-23(14-18-8-4-3-5-9-18)26(32)29-22-11-7-6-10-21(22)28/h3-11,15-16,23H,12-14,17H2,1-2H3,(H,29,32)(H,30,33)/t23-/m0/s1InChIKey
DOTMKVKEWOHORJ-QHCPKHFHSA-NSynonyms
1014065-77-0(S)N(1((2fluorophenyl)amino)1oxo3phenylpropan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
1014065770
COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4F)OC
COc1cc2CN(CCc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccccc1F)Cc1ccccc1
InChI=1SC27H28FN3O4c134241519121331(1720(19)1625(24)352)27(33)3023(14188435918)26(32)292211761021(22)28h311151623H121417H212H3(H2932)(H3033)t23m0s1
MFCD08747780
N((2S)1((2fluorophenyl)amino)1oxo3phenylpropan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
N((2S)1(2fluoroanilino)1oxo3phenylpropan2yl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
ZINC000009306605
ZINC09306605
ZINC9306605
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