Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
Catalog ID
STK982725
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[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 C30H24N2O6 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O6/c1-2-3-18-36-23-14-10-21(11-15-23)29(33)25(30-31-26-6-4-5-7-28(26)38-30)19-24-16-17-27(37-24)20-8-12-22(13-9-20)32(34)35/h4-17,19H,2-3,18H2,1H3/b25-19-InChIKey
UBPWTAOBCSHLAY-PLRJNAJWSA-NSynonyms
(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(5(4nitrophenyl)furan2yl)prop2en1one
(2E)2BENZOXAZOL2YL1(4BUTOXYPHENYL)3(5(4NITROPHENYL)(2FURYL))PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(5(4NITROPHENYL)FURAN2YL)PROP2EN1ONE
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C4=NC5=CC=CC=C5O4
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC30H24N2O6c123183623141021(111523)29(33)25(303126645728(26)3830)1924161727(3724)2081222(13920)32(34)35h41719H2318H21H3b2519
MFCD03650944
ZINC000009030816
ZINC09030816
ZINC9030816
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