Vitas-M small molecule compound
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (non-preferred name)
Catalog ID
STK389265
SMILES O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)Nc1cccc(c1)C(F)(F)F
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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 C27H18BrF3N2O3 MW 555.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18BrF3N2O3/c28-26-18-10-3-1-8-16(18)21(17-9-2-4-11-19(17)26)22-23(26)25(36)33(24(22)35)13-20(34)32-15-7-5-6-14(12-15)27(29,30)31/h1-12,21-23H,13H2,(H,32,34)InChIKey
MPJOAIAGTAYXCL-UHFFFAOYSA-NSynonyms
2(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)N(3(trifluoromethyl)phenyl)acetamide(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)CC(=O)NC6=CC=CC(=C6)C(F)(F)F
InChI=1SC27H18BrF3N2O3c2826181031816(18)21(179241119(17)26)2223(26)25(36)33(24(22)35)1320(34)321575614(1215)27(2930)31h1122123H13H2(H3234)
MFCD01623245
ZINC000008449835
ZINC000008449838
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