Vitas-M small molecule compound

ethyl 5-[2-hydroxy-3-(piperazin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

Catalog ID
STK944896
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCNCC1)O)cc2)c1ccc(cc1)C

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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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-4-32-26(31)25-19(3)29(20-7-5-18(2)6-8-20)24-10-9-22(15-23(24)25)33-17-21(30)16-28-13-11-27-12-14-28/h5-10,15,21,27,30H,4,11-14,16-17H2,1-3H3
InChIKey
WWZLTRCSGZWNQP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCNCC3)O)C4=CC=C(C=C4)C)C
ETHYL5(2HYDROXY3(1PIPERAZINYL)PROPOXY)2METHYL1(4METHYLPHENYL)1HINDOLE3CARBOXYLATE
ethyl5(2hydroxy3(piperazin1yl)propoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
ethyl5(2hydroxy3piperazin1ylpropoxy)2methyl1(4methylphenyl)indole3carboxylate
ETHYL5(2HYDROXY3PIPERAZINYLPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
InChI=1SC26H33N3O4c143226(31)2519(3)29(207518(2)6820)2410922(1523(24)25)331721(30)1628131127121428h51015212730H411141617H213H3
MFCD09758238
ZINC000019909192
ZINC000019909195

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Available files

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