Vitas-M small molecule compound
ethyl 2-[(4-butoxyphenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
Catalog ID
STK691104
SMILES CCCCOc1ccc(cc1)NC(C(F)(F)F)(C(=O)OCC)NC(=O)OCC
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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 C18H25F3N2O5 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25F3N2O5/c1-4-7-12-28-14-10-8-13(9-11-14)22-17(18(19,20)21,15(24)26-5-2)23-16(25)27-6-3/h8-11,22H,4-7,12H2,1-3H3,(H,23,25)InChIKey
OXCJHZSVBVBSEJ-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC
ethyl2((4butoxyphenyl)amino)N(ethoxycarbonyl)333trifluoroalaninate
ethyl2(4butoxyanilino)2(ethoxycarbonylamino)333trifluoropropanoate
InChI=1SC18H25F3N2O5c14712281410813(91114)2217(18(1920)2115(24)2652)2316(25)2763h81122H4712H213H3(H2325)
MFCD09064149
ZINC000012410775
ZINC000012410777
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