Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STL025353
SMILES COc1cc(OC)cc(c1)C(=O)/C(=C/c1cccs1)/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 C22H17NO4S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17NO4S/c1-25-15-10-14(11-16(12-15)26-2)21(24)18(13-17-6-5-9-28-17)22-23-19-7-3-4-8-20(19)27-22/h3-13H,1-2H3/b18-13-InChIKey
FJVSTUJBCWZMDE-AQTBWJFISA-NSynonyms
(2E)2(13benzoxazol2yl)1(35dimethoxyphenyl)3(thiophen2yl)prop2en1one
(E)2(13benzoxazol2yl)1(35dimethoxyphenyl)3thiophen2ylprop2en1one
(Z)2(benzo(d)oxazol2yl)1(35dimethoxyphenyl)3(thiophen2yl)prop2en1one
COC1=CC(=CC(=C1)C(=O)C(=CC2=CC=CS2)C3=NC4=CC=CC=C4O3)OC
COc1cc(OC)cc(c1)C(=O)C(=Cc1cccs1)c1nc2c(o1)cccc2
InChI=1SC22H17NO4Sc125151014(1116(1215)262)21(24)18(13176592817)222319734820(19)2722h313H12H3b1813
MFCD18187260
ZINC000032620469
ZINC32620469
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