Vitas-M small molecule compound
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylate
Catalog ID
STK050490
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCCCCC1)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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c1-3-33-28(32)27-21(2)30(18-22-11-7-6-8-12-22)26-14-13-24(17-25(26)27)34-20-23(31)19-29-15-9-4-5-10-16-29/h6-8,11-14,17,23,31H,3-5,9-10,15-16,18-20H2,1-2H3InChIKey
MRQMXKCLXVJFDF-UHFFFAOYSA-NSynonyms
347368-79-0347368790
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)CC4=CC=CC=C4)C
CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCCCCC1)O)cc2)Cc1ccccc1
ETHYL5(3(AZEPAN1YL)2HYDROXYPROPOXY)1BENZYL2METHYL1HINDOLE3CARBOXYLATE
ETHYL5(3(AZEPAN1YL)2HYDROXYPROPOXY)1BENZYL2METHYLINDOLE3CARBOXYLATE
ETHYL5(3AZAPERHYDROEPINYL2HYDROXYPROPOXY)2METHYL1BENZYLINDOLE3CARBOXYLATE
InChI=1SC28H36N2O4c133328(32)2721(2)30(1822117681222)26141324(1725(26)27)342023(31)192915945101629h681114172331H3591015161820H212H3
MFCD02130350
STK050490
ZINC000008396990
ZINC000008396995
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