Vitas-M small molecule compound
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
Catalog ID
STK944903
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCCCCC1)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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c1-4-33-28(32)27-21(3)30(22-11-9-20(2)10-12-22)26-14-13-24(17-25(26)27)34-19-23(31)18-29-15-7-5-6-8-16-29/h9-14,17,23,31H,4-8,15-16,18-19H2,1-3H3InChIKey
ILLZANSUCOVAMF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)C4=CC=C(C=C4)C)C
ethyl5(3(azepan1yl)2hydroxypropoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
ETHYL5(3(AZEPAN1YL)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ETHYL5(3AZAPERHYDROEPINYL2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
InChI=1SC28H36N2O4c143328(32)2721(3)30(2211920(2)101222)26141324(1725(26)27)341923(31)18291575681629h914172331H4815161819H213H3
MFCD03130482
ZINC000003628242
ZINC000003628246
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