Vitas-M small molecule compound

diethyl 5,5'-{piperazine-1,4-diylbis[(2-hydroxypropane-3,1-diyl)oxy]}bis(1-benzyl-2-methyl-1H-indole-3-carboxylate)

Catalog ID
STK927435
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCN(CC1)CC(COc1ccc3c(c1)c(C(=O)OCC)c(n3Cc1ccccc1)C)O)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 C48H56N4O8 MW 816.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H56N4O8/c1-5-57-47(55)45-33(3)51(27-35-13-9-7-10-14-35)43-19-17-39(25-41(43)45)59-31-37(53)29-49-21-23-50(24-22-49)30-38(54)32-60-40-18-20-44-42(26-40)46(48(56)58-6-2)34(4)52(44)28-36-15-11-8-12-16-36/h7-20,25-26,37-38,53-54H,5-6,21-24,27-32H2
InChIKey
OQSGVZXHAKVVNA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)CC(COC4=CC5=C(C=C4)N(C(=C5C(=O)OCC)C)CC6=CC=CC=C6)O)O)CC7=CC=CC=C7)C
diethyl55(piperazine14diylbis((2hydroxypropane31diyl)oxy))bis(1benzyl2methyl1Hindole3carboxylate)
ethyl1benzyl5(3(4(3(1benzyl3ethoxycarbonyl2methylindol5yl)oxy2hydroxypropyl)piperazin1yl)2hydroxypropoxy)2methylindole3carboxylate
ETHYL5(3(4(3(3(ETHOXYCARBONYL)2METHYL1BENZYLINDOL5YLOXY)2HYDROXYPROPYL)PIPERAZINYL)2HYDROXYPROPOXY)2METHYL1BENZYLINDOLE3CARBOXYLATE
InChI=1SC48H56N4O8c155747(55)4533(3)51(27351397101435)43191739(2541(43)45)593137(53)2949212350(242249)3038(54)32604018204442(2640)46(48(56)5862)34(4)52(44)283615118121636h720252637385354H5621242732H214H3
MFCD03130703
ZINC000098048149
ZINC000098048151

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Available files

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