Vitas-M small molecule compound

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

Catalog ID
STK609655
SMILES COc1ccccc1CNC(=O)[C@@H]1CCCN1C(=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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-28(2,3)36-27(34)31-18-21-12-6-5-10-19(21)16-23(31)26(33)30-15-9-13-22(30)25(32)29-17-20-11-7-8-14-24(20)35-4/h5-8,10-12,14,22-23H,9,13,15-18H2,1-4H3,(H,29,32)/t22-,23-/m0/s1
InChIKey
JMQOOIZVHUXKSY-GOTSBHOMSA-N
Synonyms
1014003-40-7
(S)tertbutyl3((S)2((2methoxybenzyl)carbamoyl)pyrrolidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1014003407
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NCC4=CC=CC=C4OC
COc1ccccc1CNC(=O)(C@@H)1CCCN1C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC28H35N3O5c128(23)3627(34)31182112651019(21)1623(31)26(33)301591322(30)25(32)29172011781424(20)354h581012142223H9131518H214H3(H2932)t2223m0s1
MFCD06775093
tertbutyl(3S)3(((2S)2((2methoxybenzyl)carbamoyl)pyrrolidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2S)2((2methoxyphenyl)methylcarbamoyl)pyrrolidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009451359
ZINC09451359
ZINC9451359

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Available files

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