Vitas-M small molecule compound

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

Catalog ID
STK605647
SMILES O=C(C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCCO1

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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 C26H37N3O5 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3O5/c1-26(2,3)34-25(32)29-17-20-8-5-4-7-19(20)15-22(29)24(31)28-12-10-18(11-13-28)23(30)27-16-21-9-6-14-33-21/h4-5,7-8,18,21-22H,6,9-17H2,1-3H3,(H,27,30)/t21?,22-/m0/s1
InChIKey
KIASXLJOATUNQW-KEKNWZKVSA-N
Synonyms
1014063-93-4
(3S)tertbutyl3(4(((tetrahydrofuran2yl)methyl)carbamoyl)piperidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1014063934
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NCC4CCCO4
InChI=1SC26H37N3O5c126(23)3425(32)291720854719(20)1522(29)24(31)28121018(111328)23(30)27162196143321h4578182122H6917H213H3(H2730)t21?22m0s1
MFCD06779836
O=C(C1CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCCO1
tertbutyl(3S)3((4((tetrahydrofuran2ylmethyl)carbamoyl)piperidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(4(oxolan2ylmethylcarbamoyl)piperidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009410289
ZINC000013607929

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Available files

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