Vitas-M small molecule compound

(2E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitrophenyl)-1-[4-(propan-2-yloxy)phenyl]prop-2-en-1-one

Catalog ID
STK621040
SMILES CC(Oc1ccc(cc1)C(=O)/C(=C/c1ccccc1[N+](=O)[O-])/c1nc2c(o1)cccc2)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 C25H20N2O5 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5/c1-16(2)31-19-13-11-17(12-14-19)24(28)20(15-18-7-3-5-9-22(18)27(29)30)25-26-21-8-4-6-10-23(21)32-25/h3-16H,1-2H3/b20-15-
InChIKey
HCQMJDSGYZKMNP-HKWRFOASSA-N
Synonyms
929826-58-4
(2E)2(13benzoxazol2yl)3(2nitrophenyl)1(4(propan2yloxy)phenyl)prop2en1one
(E)2(13benzoxazol2yl)3(2nitrophenyl)1(4propan2yloxyphenyl)prop2en1one
(E)2(benzo(d)oxazol2yl)1(4isopropoxyphenyl)3(2nitrophenyl)prop2en1one
929826584
CC(C)OC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2(N+)(=O)(O))C3=NC4=CC=CC=C4O3
CC(Oc1ccc(cc1)C(=O)C(=Cc1ccccc1(N+)(=O)(O))c1nc2c(o1)cccc2)C
InChI=1SC25H20N2O5c116(2)3119131117(121419)24(28)20(1518735922(18)27(29)30)2526218461023(21)3225h316H12H3b2015
MFCD09796647
ZINC000013654447
ZINC13654447

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.