Vitas-M small molecule compound

tert-butyl (3S)-3-{[4-(cyclohexylcarbamoyl)piperidin-1-yl]carbonyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK613949
SMILES O=C(C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCCC1

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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 C27H39N3O4 MW 469.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O4/c1-27(2,3)34-26(33)30-18-21-10-8-7-9-20(21)17-23(30)25(32)29-15-13-19(14-16-29)24(31)28-22-11-5-4-6-12-22/h7-10,19,22-23H,4-6,11-18H2,1-3H3,(H,28,31)/t23-/m0/s1
InChIKey
QKZNRTNMKFFHEZ-QHCPKHFHSA-N
Synonyms
1014022-24-2
(S)tertbutyl3(4(cyclohexylcarbamoyl)piperidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1014022242
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4CCCCC4
InChI=1SC27H39N3O4c127(23)3426(33)3018211087920(21)1723(30)25(32)29151319(141629)24(31)2822115461222h710192223H461118H213H3(H2831)t23m0s1
MFCD06772881
O=C(C1CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCCC1
tertbutyl(3S)3((4(cyclohexylcarbamoyl)piperidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(4(cyclohexylcarbamoyl)piperidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009449008
ZINC09449008
ZINC9449008

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Available files

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