Vitas-M small molecule compound
(3S)-N-{(1R)-2-[(3,4-dimethylphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK580629
SMILES O=C([C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)Nc1ccc(c(c1)C)C)c1ccccc1
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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 C26H27N3O2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2/c1-17-12-13-22(14-18(17)2)28-26(31)24(19-8-4-3-5-9-19)29-25(30)23-15-20-10-6-7-11-21(20)16-27-23/h3-14,23-24,27H,15-16H2,1-2H3,(H,28,31)(H,29,30)/t23-,24+/m0/s1InChIKey
BPDFZTGDZQYSBX-BJKOFHAPSA-NSynonyms
(3S)N((1R)2((34dimethylphenyl)amino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamide
(3S)N((1R)2(34dimethylanilino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)2((34dimethylphenyl)amino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3)C
InChI=1SC26H27N3O2c117121322(1418(17)2)2826(31)24(198435919)2925(30)23152010671121(20)162723h314232427H1516H212H3(H2831)(H2930)t2324+m0s1
MFCD06779998
O=C((C@H)1NCc2c(C1)cccc2)N(C@@H)(C(=O)Nc1ccc(c(c1)C)C)c1ccccc1
O=C((C@H)1NCc2c(C1)cccc2)N(C@@H)(C(=O)Nc1ccc(c(c1)C)C)c1ccccc1Cl
ZINC000035378053
ZINC35378053
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