Vitas-M small molecule compound

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

Catalog ID
STK599088
SMILES OC(=O)[C@H](Cc1ccccc1)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 C31H39N3O6 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O6/c1-30(2,3)40-29(39)33-19-16-31(17-20-33,23-13-8-5-9-14-23)28(38)34-18-10-15-25(34)26(35)32-24(27(36)37)21-22-11-6-4-7-12-22/h4-9,11-14,24-25H,10,15-21H2,1-3H3,(H,32,35)(H,36,37)/t24-,25-/m0/s1
InChIKey
NDQOZKWIJOBMQL-DQEYMECFSA-N
Synonyms
1014063-46-7
(2S)2(((2S)1(1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carbonyl)amino)3phenylpropanoicacid
(S)2((S)1(1(tertbutoxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carboxamido)3phenylpropanoicacid
1((1(tertbutoxycarbonyl)4phenylpiperidin4yl)carbonyl)LprolylLphenylalanine
1014063467
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O
InChI=1SC31H39N3O6c130(23)4029(39)33191631(17203323138591423)28(38)3418101525(34)26(35)3224(27(36)37)2122116471222h4911142425H101521H213H3(H3235)(H3637)t2425m0s1
MFCD07639399
OC(=O)(C@H)(Cc1ccccc1)NC(=O)(C@@H)1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
ZINC000097957048
ZINC97957048

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Available files

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