Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK793969
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1cc(OC)ccc1OC)/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 C28H27NO5 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5/c1-4-5-16-33-21-12-10-19(11-13-21)27(30)23(28-29-24-8-6-7-9-26(24)34-28)18-20-17-22(31-2)14-15-25(20)32-3/h6-15,17-18H,4-5,16H2,1-3H3/b23-18-InChIKey
SCJCRPMZAUETNK-NKFKGCMQSA-NSynonyms
494200-64-5(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(25dimethoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(25DIMETHOXYPHENYL)1(4BUTOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(25DIMETHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)1(4butoxyphenyl)3(25dimethoxyphenyl)prop2en1one
494200645
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=C(C=CC(=C2)OC)OC)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1cc(OC)ccc1OC)c1nc2c(o1)cccc2
InChI=1SC28H27NO5c145163321121019(111321)27(30)23(282924867926(24)3428)18201722(312)141525(20)323h6151718H4516H213H3b2318
MFCD03302630
ZINC000009007899
ZINC09007899
ZINC9007899
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