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(3R)-N-[(2S)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL530171
SMILES COc1cc(CCNC(=O)[C@@H](NC(=O)[C@H]2N3C(SC2(C)C)c2c(C3=O)cccc2)CC(C)C)ccc1OC

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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 C29H37N3O5S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O5S/c1-17(2)15-21(25(33)30-14-13-18-11-12-22(36-5)23(16-18)37-6)31-26(34)24-29(3,4)38-28-20-10-8-7-9-19(20)27(35)32(24)28/h7-12,16-17,21,24,28H,13-15H2,1-6H3,(H,30,33)(H,31,34)/t21-,24+,28?/m0/s1
InChIKey
PPHGBHQHCPBKFR-MJONQXIMSA-N
Synonyms
956776-05-9
(3~(R))~(N)((2~(S))1(2(34dimethoxyphenyl)ethylamino)4methyl1oxopentan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1((2(34dimethoxyphenyl)ethyl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((34dimethoxyphenethyl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406065
956776059
COc1cc(CCNC(=O)(C@@H)(NC(=O)(C@H)2N3C(SC2(C)C)c2c(C3=O)cccc2)CC(C)C)ccc1OC
InChI=1SC29H37N3O5Sc117(2)1521(25(33)30141318111222(365)23(1618)376)3126(34)2429(34)3828201087919(20)27(35)32(24)28h7121617212428H1315H216H3(H3033)(H3134)t2124+28?m0s1
ZINC000070706793
ZINC000070706795

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Available files

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