Vitas-M small molecule compound

ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-cyclohexyl-1H-indole-3-carboxylate

Catalog ID
STK684022
SMILES N#CCN1CCN(CC1)Cc1n(C2CCCCC2)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)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 C26H33BrN4O4 MW 545.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33BrN4O4/c1-3-34-26(33)25-20-15-24(35-18(2)32)21(27)16-22(20)31(19-7-5-4-6-8-19)23(25)17-30-13-11-29(10-9-28)12-14-30/h15-16,19H,3-8,10-14,17H2,1-2H3
InChIKey
ZDZVNJGKXIXSNF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)CC#N
ethyl5(acetyloxy)6bromo2((4(cyanomethyl)piperazin1yl)methyl)1cyclohexyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)1CYCLOHEXYLINDOLE3CARBOXYLATE
InChI=1SC26H33BrN4O4c133426(33)25201524(3518(2)32)21(27)1622(20)31(197546819)23(25)1730131129(10928)121430h151619H38101417H212H3
MFCD05259357
ZINC000098006329
ZINC98006329

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Available files

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