Vitas-M small molecule compound
2-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STK161386
SMILES Clc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C23H11ClF3NO5 MW 473.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H11ClF3NO5/c24-17-10-12(9-16-21(29)14-3-1-2-4-15(14)22(16)30)5-7-19(17)33-20-8-6-13(23(25,26)27)11-18(20)28(31)32/h1-11HInChIKey
KIRKTPYYYUYSAF-UHFFFAOYSA-NSynonyms
2((3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)INDENE13DIONE
2(3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)1HINDENE13(2H)DIONE
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))Cl)C2=O
Clc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC23H11ClF3NO5c24171012(91621(29)14312415(14)22(16)30)5719(17)33208613(23(2526)27)1118(20)28(31)32h111H
MFCD02218505
ZINC000002959445
ZINC02959445
ZINC2959445
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