Vitas-M small molecule compound

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

Catalog ID
STK683271
SMILES N#CCN1CCN(CC1)Cc1n(C)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 C21H25BrN4O4 MW 477.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O4/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)24(3)18(20)13-26-9-7-25(6-5-23)8-10-26/h11-12H,4,6-10,13H2,1-3H3
InChIKey
KNHANTNFXPHKIJ-UHFFFAOYSA-N
Synonyms
696628-64-5
696628645
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN3CCN(CC3)CC#N
ethyl5(acetyloxy)6bromo2((4(cyanomethyl)piperazin1yl)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC21H25BrN4O4c142921(28)20151119(3014(2)27)16(22)1217(15)24(3)18(20)13269725(6523)81026h1112H461013H213H3
MFCD05257240
ZINC000022828621
ZINC22828621

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Available files

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