Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Catalog ID
STL425808
SMILES COc1ccc(cc1)C1C(C(=O)NC(c2nc3c([nH]2)cccc3)CC(C)C)c2ccccc2C(=O)N1C

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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 C30H32N4O3 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3/c1-18(2)17-25(28-31-23-11-7-8-12-24(23)32-28)33-29(35)26-21-9-5-6-10-22(21)30(36)34(3)27(26)19-13-15-20(37-4)16-14-19/h5-16,18,25-27H,17H2,1-4H3,(H,31,32)(H,33,35)
InChIKey
LEDAUFLAVSJKKL-UHFFFAOYSA-N
Synonyms

CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)C3C(N(C(=O)C4=CC=CC=C34)C)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1C(C(=O)N(C@H)(c2nc3c((nH)2)cccc3)CC(C)C)c2ccccc2C(=O)N1C
COc1ccc(cc1)C1C(C(=O)NC(c2nc3c((nH)2)cccc3)CC(C)C)c2ccccc2C(=O)N1C
InChI=1SC30H32N4O3c118(2)1725(28312311781224(23)3228)3329(35)26219561022(21)30(36)34(3)27(26)19131520(374)161419h516182527H17H214H3(H3132)(H3335)
MFCD30710194
N((S)1(1Hbenzo(d)imidazol2yl)3methylbutyl)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(1(1Hbenzimidazol2yl)3methylbutyl)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(1(1Hbenzimidazol2yl)3methylbutyl)3(4methoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000218415297
ZINC000252537438

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Available files

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