Vitas-M small molecule compound

methyl (4-{3-[tert-butyl(4-nitrobenzyl)amino]-2-hydroxypropoxy}-1H-indol-3-yl)acetate

Catalog ID
STK723352
SMILES COC(=O)Cc1c[nH]c2c1c(OCC(CN(C(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-])O)ccc2

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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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-25(2,3)27(14-17-8-10-19(11-9-17)28(31)32)15-20(29)16-34-22-7-5-6-21-24(22)18(13-26-21)12-23(30)33-4/h5-11,13,20,26,29H,12,14-16H2,1-4H3
InChIKey
HEMKEGRAIBMAKZ-UHFFFAOYSA-N
Synonyms

CC(C)(C)N(CC1=CC=C(C=C1)(N+)(=O)(O))CC(COC2=CC=CC3=C2C(=CN3)CC(=O)OC)O
COC(=O)Cc1c(nH)c2c1c(OCC(CN(C(C)(C)C)Cc1ccc(cc1)(N+)(=O)(O))O)ccc2
COC(=O)Cc1c(nH)c2c1c(OCC(CN(C(C)(C)C)Cc1ccc(cc1)(N+)(=O)(O))O)ccc2Cl
InChI=1SC25H31N3O6c125(23)27(141781019(11917)28(31)32)1520(29)1634227562124(22)18(132621)1223(30)334h51113202629H121416H214H3
methyl(4(3(tertbutyl(4nitrobenzyl)amino)2hydroxypropoxy)1Hindol3yl)acetate
METHYL2(4(3(TERTBUTYL((4NITROPHENYL)METHYL)AMINO)2HYDROXYPROPOXY)1HINDOL3YL)ACETATE
methyl2(4(3(tertbutyl(4nitrobenzyl)amino)2hydroxypropoxy)1Hindol3yl)acetate
methyl2(4(3(tertbutyl(4nitrobenzyl)amino)2hydroxypropoxy)1Hindol3yl)acetatehydrochloride
MFCD01552841
ZINC000001314340
ZINC000008926111

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Available files

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