Vitas-M small molecule compound
ethyl 5-[3-(2-benzyl-1H-benzimidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate
Catalog ID
STK944886
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(Cn1c(Cc3ccccc3)nc3c1cccc3)O)cc2)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 C30H31N3O4 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4/c1-4-36-30(35)29-20(2)32(3)26-15-14-23(17-24(26)29)37-19-22(34)18-33-27-13-9-8-12-25(27)31-28(33)16-21-10-6-5-7-11-21/h5-15,17,22,34H,4,16,18-19H2,1-3H3InChIKey
CLMCUAFGCANELJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)O)C)C
ETHYL5(2HYDROXY3(2BENZYLBENZIMIDAZOLYL)PROPOXY)12DIMETHYLINDOLE3CARBOXYLATE
ethyl5(3(2benzyl1Hbenzimidazol1yl)2hydroxypropoxy)12dimethyl1Hindole3carboxylate
ETHYL5(3(2BENZYLBENZIMIDAZOL1YL)2HYDROXYPROPOXY)12DIMETHYLINDOLE3CARBOXYLATE
InChI=1SC30H31N3O4c143630(35)2920(2)32(3)26151423(1724(26)29)371922(34)18332713981225(27)3128(33)1621106571121h515172234H4161819H213H3
MFCD12966114
ZINC000009546462
ZINC000009546463
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