Vitas-M small molecule compound

1-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-L-prolyl-L-methionine

Catalog ID
STK575570
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C1(CCN(CC1)C(=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 C27H39N3O6S MW 533.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O6S/c1-26(2,3)36-25(35)29-16-13-27(14-17-29,19-9-6-5-7-10-19)24(34)30-15-8-11-21(30)22(31)28-20(23(32)33)12-18-37-4/h5-7,9-10,20-21H,8,11-18H2,1-4H3,(H,28,31)(H,32,33)/t20-,21-/m0/s1
InChIKey
RZPHYVCLOPETRD-SFTDATJTSA-N
Synonyms
1014021-79-4
(2S)2(((2S)1(1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carbonyl)amino)4methylsulfanylbutanoicacid
(S)2((S)1(1(tertbutoxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carboxamido)4(methylthio)butanoicacid
1((1(tertbutoxycarbonyl)4phenylpiperidin4yl)carbonyl)LprolylLmethionine
1014021794
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CCSC)C(=O)O
CSCC(C@@H)(C(=O)O)NC(=O)(C@@H)1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
InChI=1SC27H39N3O6Sc126(23)3625(35)29161327(1417291996571019)24(34)301581121(30)22(31)2820(23(32)33)1218374h579102021H81118H214H3(H2831)(H3233)t2021m0s1
MFCD07639859
ZINC000009129222
ZINC9129222

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Available files

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