Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK897393
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1cccc(c1)OC)/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 C27H25NO4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO4/c1-3-4-16-31-21-14-12-20(13-15-21)26(29)23(18-19-8-7-9-22(17-19)30-2)27-28-24-10-5-6-11-25(24)32-27/h5-15,17-18H,3-4,16H2,1-2H3/b23-18-InChIKey
KWKADBTYZZWNIH-NKFKGCMQSA-NSynonyms
(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(3methoxyphenyl)prop2en1one
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(3METHOXYPHENYL)PROP2EN1ONE
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1cccc(c1)OC)c1nc2c(o1)cccc2
InChI=1SC27H25NO4c134163121141220(131521)26(29)23(181987922(1719)302)27282410561125(24)3227h5151718H3416H212H3b2318
MFCD03650931
ZINC000009030800
ZINC09030800
ZINC9030800
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