Vitas-M small molecule compound

Catalog ID
STK597352
SMILES CCC([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 C28H41N3O6 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41N3O6/c1-6-19(2)22(24(33)34)29-23(32)21-13-10-16-31(21)25(35)28(20-11-8-7-9-12-20)14-17-30(18-15-28)26(36)37-27(3,4)5/h7-9,11-12,19,21-22H,6,10,13-18H2,1-5H3,(H,29,32)(H,33,34)/t19?,21-,22-/m0/s1
InChIKey
LWKNIXVXJVKAJC-GFUWAVFVSA-N
Synonyms
1014044-39-3
(2S)3methyl2(((2S)1(1((2methylpropan2yl)oxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carbonyl)amino)pentanoicacid
(2S3R)2((S)1(1(tertbutoxycarbonyl)4phenylpiperidine4carbonyl)pyrrolidine2carboxamido)3methylpentanoicacid
1014044393
CCC((C@@H)(C(=O)O)NC(=O)(C@@H)1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C
CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3
InChI=1SC28H41N3O6c1619(2)22(24(33)34)2923(32)2113101631(21)25(35)28(20118791220)141730(181528)26(36)3727(34)5h791112192122H6101318H215H3(H2932)(H3334)t19?2122m0s1
MFCD07639304
ZINC000009128847
ZINC000013591129

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Available files

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