Vitas-M small molecule compound

(2E)-2-(1,3-benzoxazol-2-yl)-3-(2,3-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK876600
SMILES COc1c(cccc1OC)/C=C(/C(=O)c1cc(OC)c(c(c1)OC)OC)\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 C27H25NO7 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7/c1-30-21-12-8-9-16(25(21)33-4)13-18(27-28-19-10-6-7-11-20(19)35-27)24(29)17-14-22(31-2)26(34-5)23(15-17)32-3/h6-15H,1-5H3/b18-13-
InChIKey
HLGOUVWBCJVZCV-AQTBWJFISA-N
Synonyms
496011-73-5
(2E)2(13benzoxazol2yl)3(23dimethoxyphenyl)1(345trimethoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(23DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(23DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)3(23dimethoxyphenyl)1(345trimethoxyphenyl)prop2en1one
2(13BENZOXAZOL2YL)3(23DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)2PROPEN1ONE
496011735
COC1=CC=CC(=C1OC)C=C(C2=NC3=CC=CC=C3O2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC
COc1c(cccc1OC)C=C(C(=O)c1cc(OC)c(c(c1)OC)OC)c1nc2c(o1)cccc2
InChI=1SC27H25NO7c13021128916(25(21)334)1318(27281910671120(19)3527)24(29)171422(312)26(345)23(1517)323h615H15H3b1813
MFCD03498492
ZINC000008437062
ZINC08437062
ZINC8437062

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.