Vitas-M small molecule compound

ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate

Catalog ID
STK007205
SMILES CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCN(CC1)Cc1ccccc1)C)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 C25H30BrN3O3 MW 500.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrN3O3/c1-4-32-25(30)24-19-14-23(31-3)20(26)15-21(19)27(2)22(24)17-29-12-10-28(11-13-29)16-18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16-17H2,1-3H3
InChIKey
ZJEKRYKLKKOHBG-UHFFFAOYSA-N
Synonyms
381193-44-8
2(4BENZYLPIPERAZIN1YLMETHYL)6BROMO5METHOXY1METHYL1HINDOLE3CARBOXYLICACIDETHYLESTER
381193448
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CC4=CC=CC=C4
CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCN(CC1)Cc1ccccc1)C)Br
ETHYL2((4BENZYLPIPERAZIN1YL)METHYL)6BROMO5METHOXY1METHYL1HINDOLE3CARBOXYLATE
ETHYL2((4BENZYLPIPERAZIN1YL)METHYL)6BROMO5METHOXY1METHYLINDOLE3CARBOXYLATE
ETHYL6BROMO5METHOXY1METHYL2((4BENZYLPIPERAZINYL)METHYL)INDOLE3CARBOXYLATE
InChI=1SC25H30BrN3O3c143225(30)24191423(313)20(26)1521(19)27(2)22(24)1729121028(111329)16188657918h591415H410131617H213H3
MFCD01606357
STK007205
ZINC000019798967
ZINC19798967

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Available files

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