Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK982728
SMILES COc1cc(cc(c1OC)OC)C(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/c1nc2c(o1)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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-31-21-13-16(14-22(32-2)24(21)33-3)23(28)18(12-15-7-6-8-17(11-15)27(29)30)25-26-19-9-4-5-10-20(19)34-25/h4-14H,1-3H3/b18-12-InChIKey
FTWBPQBGEMHATQ-PDGQHHTCSA-NSynonyms
496011-79-1(2E)2(13benzoxazol2yl)3(3nitrophenyl)1(345trimethoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(3NITROPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(3NITROPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)3(3nitrophenyl)1(345trimethoxyphenyl)prop2en1one
496011791
COC1=CC(=CC(=C1OC)OC)C(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))C3=NC4=CC=CC=C4O3
COc1cc(cc(c1OC)OC)C(=O)C(=Cc1cccc(c1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC25H20N2O7c131211316(1422(322)24(21)333)23(28)18(121576817(1115)27(29)30)2526199451020(19)3425h414H13H3b1812
MFCD03498511
ZINC000008837594
ZINC08837594
ZINC8837594
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