Vitas-M small molecule compound

N-[(1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-D-methionine

Catalog ID
STL529925
SMILES CSCC[C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1

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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 C32H41N3O6S MW 595.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O6S/c1-31(2,3)41-30(40)35-21-23-11-9-8-10-22(23)20-26(35)27(36)34-17-15-32(16-18-34,24-12-6-5-7-13-24)29(39)33-25(28(37)38)14-19-42-4/h5-13,25-26H,14-21H2,1-4H3,(H,33,39)(H,37,38)/t25-,26+/m1/s1
InChIKey
KQGTVUJTCCADAP-FTJBHMTQSA-N
Synonyms
956958-11-5
(2~(R))2((1((3~(S))2((2methylpropan2yl)oxycarbonyl)34dihydro1~(H)isoquinoline3carbonyl)4phenylpiperidine4carbonyl)amino)4methylsulfanylbutanoicacid
(R)2(1((S)2(tertbutoxycarbonyl)1234tetrahydroisoquinoline3carbonyl)4phenylpiperidine4carboxamido)4(methylthio)butanoicacid
16405317
956958115
CSCC(C@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1
InChI=1SC32H41N3O6Sc131(23)4130(40)35212311981022(23)2026(35)27(36)34171532(16183424126571324)29(39)3325(28(37)38)1419424h5132526H1421H214H3(H3339)(H3738)t2526+m1s1
N((1(((3S)2(tertbutoxycarbonyl)1234tetrahydroisoquinolin3yl)carbonyl)4phenylpiperidin4yl)carbonyl)Dmethionine
ZINC000070701608
ZINC70701608

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Available files

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