Vitas-M small molecule compound
1-benzofuran-3-yl{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STL379138
SMILES O=C(c1coc2c1cccc2)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])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 C20H16F3N3O4 MW 419.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O4/c21-20(22,23)13-5-6-16(17(11-13)26(28)29)24-7-9-25(10-8-24)19(27)15-12-30-18-4-2-1-3-14(15)18/h1-6,11-12H,7-10H2InChIKey
PZCDFARTEJFGOA-UHFFFAOYSA-NSynonyms
1benzofuran3yl(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)methanone
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=O)C3=COC4=CC=CC=C43
InChI=1SC20H16F3N3O4c2120(2223)135616(17(1113)26(28)29)247925(10824)19(27)15123018421314(15)18h161112H710H2
MFCD03134877
O=C(c1coc2c1cccc2)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000015799152
ZINC15799152
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