Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

Catalog ID
STK598592
SMILES O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C)NC1CCCCCC1

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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 C22H29N3O5 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5/c1-14(21(27)24-16-6-4-2-3-5-7-16)23-22(28)15-10-20(26)25(12-15)17-8-9-18-19(11-17)30-13-29-18/h8-9,11,14-16H,2-7,10,12-13H2,1H3,(H,23,28)(H,24,27)/t14-,15?/m0/s1
InChIKey
ILHHCCZVGWUGAA-MLCCFXAWSA-N
Synonyms
1173682-74-0
1(13benzodioxol5yl)N((2S)1(cycloheptylamino)1oxopropan2yl)5oxopyrrolidine3carboxamide
1(benzo(d)(13)dioxol5yl)N((S)1(cycloheptylamino)1oxopropan2yl)5oxopyrrolidine3carboxamide
1173682740
CC(C(=O)NC1CCCCCC1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4
InChI=1SC22H29N3O5c114(21(27)241664235716)2322(28)151020(26)25(1215)17891819(1117)30132918h89111416H27101213H21H3(H2328)(H2427)t1415?m0s1
MFCD06770960
O=C((C@@H)(NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C)NC1CCCCCC1
ZINC000005203991
ZINC000005203995

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Available files

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