Vitas-M small molecule compound

ethyl 1-benzyl-5-[2-hydroxy-3-(2-methyl-1H-benzimidazol-1-yl)propoxy]-2-methyl-1H-indole-3-carboxylate

Catalog ID
STK927746
SMILES CCOC(=O)c1c2cc(OCC(Cn3c(C)nc4c3cccc4)O)ccc2n(c1C)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 C30H31N3O4 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4/c1-4-36-30(35)29-20(2)32(17-22-10-6-5-7-11-22)27-15-14-24(16-25(27)29)37-19-23(34)18-33-21(3)31-26-12-8-9-13-28(26)33/h5-16,23,34H,4,17-19H2,1-3H3
InChIKey
PKCMWMWYYBOANC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=NC4=CC=CC=C43)C)O)CC5=CC=CC=C5)C
ETHYL1BENZYL5(((2R)2HYDROXY3(2METHYL1HBENZIMIDAZOL1YL)PROPYL)OXY)2METHYL1HINDOLE3CARBOXYLATE
ethyl1benzyl5(2hydroxy3(2methyl1Hbenzimidazol1yl)propoxy)2methyl1Hindole3carboxylate
ETHYL1BENZYL5(2HYDROXY3(2METHYLBENZIMIDAZOL1YL)PROPOXY)2METHYLINDOLE3CARBOXYLATE
ETHYL5(2HYDROXY3(2METHYLBENZIMIDAZOLYL)PROPOXY)2METHYL1BENZYLINDOLE3CARBOXYLATE
InChI=1SC30H31N3O4c143630(35)2920(2)32(1722106571122)27151424(1625(27)29)371923(34)183321(3)312612891328(26)33h5162334H41719H213H3
MFCD03130681
ZINC000001156649
ZINC000001156650

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Available files

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