Vitas-M small molecule compound
diethyl 5,5'-{piperazine-1,4-diylbis[(2-hydroxypropane-3,1-diyl)oxy]}bis[2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate]
Catalog ID
STK944921
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCN(CC1)CC(COc1ccc3c(c1)c(C(=O)OCC)c(n3c1ccc(cc1)C)C)O)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 C48H56N4O8 MW 816.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H56N4O8/c1-7-57-47(55)45-33(5)51(35-13-9-31(3)10-14-35)43-19-17-39(25-41(43)45)59-29-37(53)27-49-21-23-50(24-22-49)28-38(54)30-60-40-18-20-44-42(26-40)46(48(56)58-8-2)34(6)52(44)36-15-11-32(4)12-16-36/h9-20,25-26,37-38,53-54H,7-8,21-24,27-30H2InChIKey
YBHJNIYDFSNIIP-UHFFFAOYSA-NSynonyms
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)C6=CC=C(C=C6)C)O)O)C7=CC=C(C=C7)C)C
diethyl55(piperazine14diylbis((2hydroxypropane31diyl)oxy))bis(2methyl1(4methylphenyl)1Hindole3carboxylate)
ETHYL5(3(4(3(3(ETHOXYCARBONYL)2METHYL1(4METHYLPHENYL)INDOL5YLOXY)2HYDROXYPROPYL)PIPERAZINYL)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ethyl5(3(4(3(3ethoxycarbonyl2methyl1(4methylphenyl)indol5yl)oxy2hydroxypropyl)piperazin1yl)2hydroxypropoxy)2methyl1(4methylphenyl)indole3carboxylate
InChI=1SC48H56N4O8c175747(55)4533(5)51(3513931(3)101435)43191739(2541(43)45)592937(53)2749212350(242249)2838(54)30604018204442(2640)46(48(56)5882)34(6)52(44)36151132(4)121636h920252637385354H7821242730H216H3
MFCD03130497
ZINC000150469850
ZINC000150469854
Check stock
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Check stock on Vitas-MAvailable files
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