Vitas-M small molecule compound
ethyl 1-benzyl-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1H-indole-3-carboxylate
Catalog ID
STK066921
SMILES N#CCN1CCN(CC1)Cc1n(Cc2ccccc2)c2c(c1C(=O)OCC)cc(c(c2)Br)O
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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 C25H27BrN4O3 MW 511.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O3/c1-2-33-25(32)24-19-14-23(31)20(26)15-21(19)30(16-18-6-4-3-5-7-18)22(24)17-29-12-10-28(9-8-27)11-13-29/h3-7,14-15,31H,2,9-13,16-17H2,1H3InChIKey
SHUKUMSOUYJFIY-UHFFFAOYSA-NSynonyms
312522-31-9312522319
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)CC#N
ETHYL1BENZYL6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)5HYDROXY1HINDOLE3CARBOXYLATE
ETHYL1BENZYL6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)5HYDROXYINDOLE3CARBOXYLATE
InChI=1SC25H27BrN4O3c123325(32)24191423(31)20(26)1521(19)30(16186435718)22(24)1729121028(9827)111329h37141531H29131617H21H3
MFCD01571771
N#CCN1CCN(CC1)Cc1n(Cc2ccccc2)c2c(c1C(=O)OCC)cc(c(c2)Br)O
STK066921
ZINC000019830808
ZINC19830808
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