Vitas-M small molecule compound

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

Catalog ID
STK551801
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)Cc1ccccc1)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/c1-4-36-28(33)27-26(21-17-23(34-2)24(35-3)18-22(21)29-27)30-25(32)12-15-31-13-10-20(11-14-31)16-19-8-6-5-7-9-19/h5-9,17-18,20,29H,4,10-16H2,1-3H3,(H,30,32)
InChIKey
VTMSIJJWZOXXIE-UHFFFAOYSA-N
Synonyms
799837-23-3
799837233
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCC(CC1)Cc1ccccc1)cc(c(c2)OC)OC
CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4
ethyl3((3(4benzylpiperidin1yl)propanoyl)amino)56dimethoxy1Hindole2carboxylate
ethyl3(3(4benzylpiperidin1yl)propanamido)56dimethoxy1Hindole2carboxylate
ETHYL3(3(4BENZYLPIPERIDIN1YL)PROPANOYLAMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
InChI=1SC28H35N3O5c143628(33)2726(211723(342)24(353)1822(21)2927)3025(32)121531131020(111431)16198657919h5917182029H41016H213H3(H3032)
MFCD03685515
ZINC000009461048
ZINC9461048

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Available files

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