Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dichlorophenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
Catalog ID
STK896916
SMILES CCCOc1ccc(cc1)C(=O)/C(=C/c1ccc(c(c1)Cl)Cl)/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 C25H19Cl2NO3 MW 452.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl2NO3/c1-2-13-30-18-10-8-17(9-11-18)24(29)19(14-16-7-12-20(26)21(27)15-16)25-28-22-5-3-4-6-23(22)31-25/h3-12,14-15H,2,13H2,1H3/b19-14-InChIKey
KSHAWYIGDMOTOE-RGEXLXHISA-NSynonyms
(2E)2(13benzoxazol2yl)3(34dichlorophenyl)1(4propoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(34DICHLOROPHENYL)1(4PROPOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(34DICHLOROPHENYL)1(4PROPOXYPHENYL)PROP2EN1ONE
CCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4O3
CCCOc1ccc(cc1)C(=O)C(=Cc1ccc(c(c1)Cl)Cl)c1nc2c(o1)cccc2
InChI=1SC25H19Cl2NO3c1213301810817(91118)24(29)19(141671220(26)21(27)1516)252822534623(22)3125h3121415H213H21H3b1914
MFCD03029144
ZINC000008871767
ZINC08871767
ZINC8871767
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