Vitas-M small molecule compound
ethyl 6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
Catalog ID
STL356224
SMILES N#CCN1CCN(CC1)Cc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC
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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 C20H25BrN4O3 MW 449.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN4O3/c1-4-28-20(26)19-14-11-18(27-3)15(21)12-16(14)23(2)17(19)13-25-9-7-24(6-5-22)8-10-25/h11-12H,4,6-10,13H2,1-3H3InChIKey
YEHGOANXVBYMKW-UHFFFAOYSA-NSynonyms
309720-29-4309720294
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CC#N
ethyl6bromo2((4(cyanomethyl)piperazin1yl)methyl)5methoxy1methyl1Hindole3carboxylate
ETHYL6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)5METHOXY1METHYLINDOLE3CARBOXYLATE
InChI=1SC20H25BrN4O3c142820(26)19141118(273)15(21)1216(14)23(2)17(19)13259724(6522)81025h1112H461013H213H3
MFCD01606356
ZINC000019881346
ZINC19881346
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