Vitas-M small molecule compound

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

Catalog ID
STK575280
SMILES CC([C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)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 C27H39N3O6 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O6/c1-18(2)21(23(32)33)28-22(31)20-12-9-15-30(20)24(34)27(19-10-7-6-8-11-19)13-16-29(17-14-27)25(35)36-26(3,4)5/h6-8,10-11,18,20-21H,9,12-17H2,1-5H3,(H,28,31)(H,32,33)/t20-,21+/m0/s1
InChIKey
ZEQRDGHADVBVNX-LEWJYISDSA-N
Synonyms
1014023-93-8
(2R)3methyl2(((2S)1(1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carbonyl)amino)butanoicacid
(R)2((S)1(1(tertbutoxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carboxamido)3methylbutanoicacid
1((1(tertbutoxycarbonyl)4phenylpiperidin4yl)carbonyl)LprolylDvaline
1014023938
CC((C@H)(C(=O)O)NC(=O)(C@@H)1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3
InChI=1SC27H39N3O6c118(2)21(23(32)33)2822(31)201291530(20)24(34)27(19107681119)131629(171427)25(35)3626(34)5h681011182021H91217H215H3(H2831)(H3233)t2021+m0s1
MFCD07638241
ZINC000013576534
ZINC13576534

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Available files

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