Vitas-M small molecule compound

tert-butyl 3-[(1-phenylethyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK728080
SMILES O=C(N1Cc2ccccc2CC1C(=O)NC(c1ccccc1)C)OC(C)(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 C23H28N2O3 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O3/c1-16(17-10-6-5-7-11-17)24-21(26)20-14-18-12-8-9-13-19(18)15-25(20)22(27)28-23(2,3)4/h5-13,16,20H,14-15H2,1-4H3,(H,24,26)
InChIKey
ZCIANBMIIIQQAK-UHFFFAOYSA-N
Synonyms

CC(C1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC23H28N2O3c116(17106571117)2421(26)20141812891319(18)1525(20)22(27)2823(23)4h5131620H1415H214H3(H2426)
MFCD13371764
tertbutyl3((1phenylethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
TERTBUTYL3(1PHENYLETHYLCARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
ZINC000005269452
ZINC000016020910

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Available files

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