Vitas-M small molecule compound

ethyl 3-{[2-(4-benzylpiperidin-1-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate

Catalog ID
STK549553
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)cc(c(c2)OC)OC

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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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-5-36-28(33)26-25(21-16-23(34-3)24(35-4)17-22(21)29-26)30-27(32)18(2)31-13-11-20(12-14-31)15-19-9-7-6-8-10-19/h6-10,16-18,20,29H,5,11-15H2,1-4H3,(H,30,32)
InChIKey
KJOLQPJCGOOCMB-UHFFFAOYSA-N
Synonyms
799838-03-2
799838032
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)cc(c(c2)OC)OC
CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C(C)N3CCC(CC3)CC4=CC=CC=C4
ethyl3((2(4benzylpiperidin1yl)propanoyl)amino)56dimethoxy1Hindole2carboxylate
ethyl3(2(4benzylpiperidin1yl)propanamido)56dimethoxy1Hindole2carboxylate
ETHYL3(2(4BENZYLPIPERIDIN1YL)PROPANOYLAMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
InChI=1SC28H35N3O5c153628(33)2625(211623(343)24(354)1722(21)2926)3027(32)18(2)31131120(121431)151997681019h61016182029H51115H214H3(H3032)
MFCD03685697
ZINC000009461064
ZINC000009461065

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Available files

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