Vitas-M small molecule compound

ethyl 1-benzyl-5-[3-(benzylamino)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate

Catalog ID
STK035030
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CNCc1ccccc1)O)cc2)Cc1ccccc1

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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 C29H32N2O4 MW 472.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4/c1-3-34-29(33)28-21(2)31(19-23-12-8-5-9-13-23)27-15-14-25(16-26(27)28)35-20-24(32)18-30-17-22-10-6-4-7-11-22/h4-16,24,30,32H,3,17-20H2,1-2H3
InChIKey
JYDFCPKCKYZYRH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3=CC=CC=C3)O)CC4=CC=CC=C4)C
CCOC(=O)c1c(C)n(c2c1cc(OCC(CNCc1ccccc1)O)cc2)Cc1ccccc1
ETHYL1BENZYL5(3(BENZYLAMINO)2HYDROXYPROPOXY)2METHYL1HINDOLE3CARBOXYLATE
ETHYL1BENZYL5(3(BENZYLAMINO)2HYDROXYPROPOXY)2METHYLINDOLE3CARBOXYLATE
ETHYL5(2HYDROXY3(BENZYLAMINO)PROPOXY)2METHYL1BENZYLINDOLE3CARBOXYLATE
InChI=1SC29H32N2O4c133429(33)2821(2)31(1923128591323)27151425(1626(27)28)352024(32)18301722106471122h416243032H31720H212H3
MFCD02904798
STK035030
ZINC000008397033
ZINC000008397043

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Available files

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