Vitas-M small molecule compound

methyl 3-{[2-(4-benzylpiperidin-1-yl)propanoyl]amino}-4-methoxy-1H-indole-2-carboxylate

Catalog ID
STL162054
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)c(OC)ccc2

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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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-17(29-14-12-19(13-15-29)16-18-8-5-4-6-9-18)25(30)28-23-22-20(10-7-11-21(22)32-2)27-24(23)26(31)33-3/h4-11,17,19,27H,12-16H2,1-3H3,(H,28,30)
InChIKey
PQXSOSQPYYSPCQ-UHFFFAOYSA-N
Synonyms
877779-80-1
877779801
CC(C(=O)NC1=C(NC2=C1C(=CC=C2)OC)C(=O)OC)N3CCC(CC3)CC4=CC=CC=C4
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)c(OC)ccc2
InChI=1SC26H31N3O4c117(29141219(131529)16188546918)25(30)28232220(1071121(22)322)2724(23)26(31)333h411171927H1216H213H3(H2830)
methyl3((2(4benzylpiperidin1yl)propanoyl)amino)4methoxy1Hindole2carboxylate
methyl3(2(4benzylpiperidin1yl)propanamido)4methoxy1Hindole2carboxylate
METHYL3(2(4BENZYLPIPERIDIN1YL)PROPANOYLAMINO)4METHOXY1HINDOLE2CARBOXYLATE
MFCD05700139
ZINC000009344966
ZINC000009344967

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Available files

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