Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one
Catalog ID
STK897394
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1ccc(cc1)OCC)/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 C28H27NO4 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO4/c1-3-5-18-32-23-16-12-21(13-17-23)27(30)24(19-20-10-14-22(15-11-20)31-4-2)28-29-25-8-6-7-9-26(25)33-28/h6-17,19H,3-5,18H2,1-2H3/b24-19-InChIKey
XKFUFHLEJRHHES-CLCOLTQESA-NSynonyms
(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(4ethoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL1(4BUTOXYPHENYL)3(4ETHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(4ETHOXYPHENYL)PROP2EN1ONE
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)OCC)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)OCC)c1nc2c(o1)cccc2
InChI=1SC28H27NO4c135183223161221(131723)27(30)24(1920101422(151120)3142)282925867926(25)3328h61719H3518H212H3b2419
MFCD03650932
ZINC000009030803
ZINC09030803
ZINC9030803
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