Vitas-M small molecule compound

diethyl 2,2'-(piperazine-1,4-diyldimethanediyl)bis(6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate)

Catalog ID
STK675617
SMILES CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCN(CC1)Cc1n(c2ccccc2)c2c(c1C(=O)OCC)cc(c(c2)Br)OC)c1ccccc1)Br

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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 C42H42Br2N4O6 MW 858.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42Br2N4O6/c1-5-53-41(49)39-29-21-37(51-3)31(43)23-33(29)47(27-13-9-7-10-14-27)35(39)25-45-17-19-46(20-18-45)26-36-40(42(50)54-6-2)30-22-38(52-4)32(44)24-34(30)48(36)28-15-11-8-12-16-28/h7-16,21-24H,5-6,17-20,25-26H2,1-4H3
InChIKey
KRKWIQYWZWZZAD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)CC5=C(C6=CC(=C(C=C6N5C7=CC=CC=C7)Br)OC)C(=O)OCC
diethyl22(piperazine14diylbis(methylene))bis(6bromo5methoxy1phenyl1Hindole3carboxylate)
diethyl22(piperazine14diyldimethanediyl)bis(6bromo5methoxy1phenyl1Hindole3carboxylate)
ETHYL6BROMO2((4((6BROMO3ETHOXYCARBONYL5METHOXY1PHENYLINDOL2YL)METHYL)PIPERAZIN1YL)METHYL)5METHOXY1PHENYLINDOLE3CARBOXYLATE
InChI=1SC42H42Br2N4O6c155341(49)39292137(513)31(43)2333(29)47(271397101427)35(39)2545171946(201845)263640(42(50)5462)302238(524)32(44)2434(30)48(36)2815118121628h7162124H5617202526H214H3
MFCD01420073
ZINC000150366221
ZINC150366221

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Available files

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