Vitas-M small molecule compound

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

Catalog ID
STK876602
SMILES COc1ccc(cc1OC)/C=C(/C(=O)c1cc(OC)c(c(c1)OC)OC)\c1oc2c(n1)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/c1-30-21-11-10-16(13-22(21)31-2)12-18(27-28-19-8-6-7-9-20(19)35-27)25(29)17-14-23(32-3)26(34-5)24(15-17)33-4/h6-15H,1-5H3/b18-12-
InChIKey
SULCVVMRGJZAJY-PDGQHHTCSA-N
Synonyms
496011-81-5
(2E)2(13benzoxazol2yl)3(34dimethoxyphenyl)1(345trimethoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(34DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(34DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)3(34dimethoxyphenyl)1(345trimethoxyphenyl)prop2en1one
2(13BENZOXAZOL2YL)3(34DIMETHOXYPHENYL)1(345TRIMETHOXYPHENYL)2PROPEN1ONE
496011815
COC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3O2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC
COc1ccc(cc1OC)C=C(C(=O)c1cc(OC)c(c(c1)OC)OC)c1oc2c(n1)cccc2
InChI=1SC27H25NO7c13021111016(1322(21)312)1218(272819867920(19)3527)25(29)171423(323)26(345)24(1517)334h615H15H3b1812
MFCD03498494
ZINC000008437024
ZINC08437024
ZINC8437024

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Available files

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