Vitas-M small molecule compound
N-{(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxopropan-2-yl}-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL010569
SMILES COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N[C@H](C(=O)Nc1cc(C)ccc1C)C
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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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-18-11-12-19(2)24(15-18)31-28(33)20(3)30-29(34)32-14-13-22-16-25(35-4)26(36-5)17-23(22)27(32)21-9-7-6-8-10-21/h6-12,15-17,20,27H,13-14H2,1-5H3,(H,30,34)(H,31,33)/t20-,27?/m0/s1InChIKey
KLKIWPGMXFFMIK-SVQMELKDSA-NSynonyms
1014064-60-81014064608
CC1=CC(=C(C=C1)C)NC(=O)C(C)NC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC
COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N(C@H)(C(=O)Nc1cc(C)ccc1C)C
InChI=1SC29H33N3O4c118111219(2)24(1518)3128(33)20(3)3029(34)321413221625(354)26(365)1723(22)27(32)2197681021h61215172027H1314H215H3(H3034)(H3133)t2027?m0s1
MFCD10488619
N((2S)1((25dimethylphenyl)amino)1oxopropan2yl)67dimethoxy1phenyl34dihydroisoquinoline2(1H)carboxamide
N((2S)1(25dimethylanilino)1oxopropan2yl)67dimethoxy1phenyl34dihydro1Hisoquinoline2carboxamide
N((S)1((25dimethylphenyl)amino)1oxopropan2yl)67dimethoxy1phenyl34dihydroisoquinoline2(1H)carboxamide
ZINC000013625437
ZINC000013625439
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