Vitas-M small molecule compound

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

Catalog ID
STK603588
SMILES Cc1ccc(c(c1)C)NC(=O)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)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 C29H37N3O4 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O4/c1-19-10-11-24(20(2)16-19)30-26(33)21-12-14-31(15-13-21)27(34)25-17-22-8-6-7-9-23(22)18-32(25)28(35)36-29(3,4)5/h6-11,16,21,25H,12-15,17-18H2,1-5H3,(H,30,33)/t25-/m0/s1
InChIKey
YWROUEZEFMGVRJ-VWLOTQADSA-N
Synonyms
1013981-41-3
(S)tertbutyl3(4((24dimethylphenyl)carbamoyl)piperidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1013981413
CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C)C
Cc1ccc(c(c1)C)NC(=O)C1CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC29H37N3O4c119101124(20(2)1619)3026(33)21121431(151321)27(34)251722867923(22)1832(25)28(35)3629(34)5h611162125H12151718H215H3(H3033)t25m0s1
MFCD06777235
tertbutyl(3S)3((4((24dimethylphenyl)carbamoyl)piperidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(4((24dimethylphenyl)carbamoyl)piperidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000013556149
ZINC13556149

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Available files

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