Vitas-M small molecule compound
3-{[4-nitro-2-(trifluoromethyl)phenyl]amino}propyl (3-chlorophenyl)carbamate
Catalog ID
STK773708
SMILES O=C(Nc1cccc(c1)Cl)OCCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
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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 C17H15ClF3N3O4 MW 417.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClF3N3O4/c18-11-3-1-4-12(9-11)23-16(25)28-8-2-7-22-15-6-5-13(24(26)27)10-14(15)17(19,20)21/h1,3-6,9-10,22H,2,7-8H2,(H,23,25)InChIKey
BSPYAFJTRQVXOX-UHFFFAOYSA-NSynonyms
3((4nitro2(trifluoromethyl)phenyl)amino)propyl(3chlorophenyl)carbamate
3(4NITRO2(TRIFLUOROMETHYL)ANILINO)PROPYLN(3CHLOROPHENYL)CARBAMATE
C1=CC(=CC(=C1)Cl)NC(=O)OCCCNC2=C(C=C(C=C2)(N+)(=O)(O))C(F)(F)F
InChI=1SC17H15ClF3N3O4c181131412(911)2316(25)2882722156513(24(26)27)1014(15)17(1920)21h13691022H278H2(H2325)
MFCD03855456
O=C(Nc1cccc(c1)Cl)OCCCNc1ccc(cc1C(F)(F)F)(N+)(=O)(O)
ZINC000008892443
ZINC08892443
ZINC8892443
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