Vitas-M small molecule compound

ethyl 3-(2-methylbenzyl)-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Catalog ID
STK405817
SMILES CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)CC(C2)c1ccccc1

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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 C25H25NO3 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO3/c1-3-29-25(28)24-20(13-18-12-8-7-9-16(18)2)23-21(26-24)14-19(15-22(23)27)17-10-5-4-6-11-17/h4-12,19,26H,3,13-15H2,1-2H3
InChIKey
NMMPNXLSFSACHF-UHFFFAOYSA-N
Synonyms

CCOC(=O)c1(nH)c2c(c1Cc1ccccc1C)C(=O)CC(C2)c1ccccc1
CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4C
ethyl3((2methylphenyl)methyl)4oxo6phenyl1567tetrahydroindole2carboxylate
ETHYL3((2METHYLPHENYL)METHYL)4OXO6PHENYL567TRIHYDROINDOLE2CARBOXYLATE
ethyl3(2methylbenzyl)4oxo6phenyl4567tetrahydro1Hindole2carboxylate
InChI=1SC25H25NO3c132925(28)2420(13181287916(18)2)2321(2624)1419(1522(23)27)17105461117h4121926H31315H212H3
MFCD06754644
ZINC000004912588
ZINC000004912592

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Available files

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