Vitas-M small molecule compound
N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-2,6-dinitro-4-(trifluoromethyl)aniline
Catalog ID
STK148648
SMILES Cc1ccc(c(c1)OCCNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)C
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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 C19H20F3N3O5 MW 427.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N3O5/c1-11(2)14-5-4-12(3)8-17(14)30-7-6-23-18-15(24(26)27)9-13(19(20,21)22)10-16(18)25(28)29/h4-5,8-11,23H,6-7H2,1-3H3InChIKey
DMFVWOCUIPLAEK-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C(C)C)OCCNC2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
Cc1ccc(c(c1)OCCNc1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(C)C
InChI=1SC19H20F3N3O5c111(2)145412(3)817(14)3076231815(24(26)27)913(19(2021)22)1016(18)25(28)29h4581123H67H213H3
MFCD02627815
N(2(5METHYL2(PROPAN2YL)PHENOXY)ETHYL)26DINITRO4(TRIFLUOROMETHYL)ANILINE
N(2(5METHYL2PROPAN2YLPHENOXY)ETHYL)26DINITRO4(TRIFLUOROMETHYL)ANILINE
ZINC000009601698
ZINC09601698
ZINC9601698
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