Vitas-M small molecule compound
tert-butyl (3S)-3-({(2S)-2-[(4-methoxybenzyl)carbamoyl]pyrrolidin-1-yl}carbonyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK610354
SMILES COc1ccc(cc1)CNC(=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)31-18-21-9-6-5-8-20(21)16-24(31)26(33)30-15-7-10-23(30)25(32)29-17-19-11-13-22(35-4)14-12-19/h5-6,8-9,11-14,23-24H,7,10,15-18H2,1-4H3,(H,29,32)/t23-,24-/m0/s1InChIKey
GQUFURKQWDBJHI-ZEQRLZLVSA-NSynonyms
1014044-70-2(S)tertbutyl3((S)2((4methoxybenzyl)carbamoyl)pyrrolidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1014044702
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)OC
COc1ccc(cc1)CNC(=O)(C@@H)1CCCN1C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC28H35N3O5c128(23)3627(34)311821965820(21)1624(31)26(33)301571023(30)25(32)291719111322(354)141219h568911142324H7101518H214H3(H2932)t2324m0s1
MFCD06780256
tertbutyl(3S)3(((2S)2((4methoxybenzyl)carbamoyl)pyrrolidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2S)2((4methoxyphenyl)methylcarbamoyl)pyrrolidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009510503
ZINC09510503
ZINC9510503
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.