Vitas-M small molecule compound

N-[(2S)-1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide

Catalog ID
STK621106
SMILES COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N[C@H](C(=O)NC1CC1)CC(C)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 C27H34FN3O4 MW 483.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34FN3O4/c1-16(2)13-22(26(32)29-20-9-10-20)30-27(33)31-12-11-18-14-23(34-3)24(35-4)15-21(18)25(31)17-5-7-19(28)8-6-17/h5-8,14-16,20,22,25H,9-13H2,1-4H3,(H,29,32)(H,30,33)/t22-,25?/m0/s1
InChIKey
QKXKNJANJPGVIX-XADRRFQNSA-N
Synonyms
956777-35-8
CC(C)CC(C(=O)NC1CC1)NC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=C(C=C4)F)OC)OC
COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N(C@H)(C(=O)NC1CC1)CC(C)C
N((2S)1(cyclopropylamino)4methyl1oxopentan2yl)1(4fluorophenyl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
N((2S)1(cyclopropylamino)4methyl1oxopentan2yl)1(4fluorophenyl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
N((S)1(cyclopropylamino)4methyl1oxopentan2yl)1(4fluorophenyl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
Registry IDs
MFCD10488836
ZINC000009418894
ZINC000009418895

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.