Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Catalog ID
STK982735
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-2-3-16-32-21-14-10-19(11-15-21)25(29)22(17-18-8-12-20(13-9-18)28(30)31)26-27-23-6-4-5-7-24(23)33-26/h4-15,17H,2-3,16H2,1H3/b22-17-InChIKey
RWBUZTSQHYLNPR-XLNRJJMWSA-NSynonyms
(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(4nitrophenyl)prop2en1one
(2E)2BENZOXAZOL2YL1(4BUTOXYPHENYL)3(4NITROPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(4NITROPHENYL)PROP2EN1ONE
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)(N+)(=O)(O))C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC26H22N2O5c123163221141019(111521)25(29)22(171881220(13918)28(30)31)262723645724(23)3326h41517H2316H21H3b2217
MFCD03650949
ZINC000009030824
ZINC09030824
ZINC9030824
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