Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-[3-(benzyloxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK622592
SMILES COc1cc(ccc1OC)C(=O)/C(=C/c1cccc(c1)OCc1ccccc1)/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 C31H25NO5 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25NO5/c1-34-28-16-15-23(19-29(28)35-2)30(33)25(31-32-26-13-6-7-14-27(26)37-31)18-22-11-8-12-24(17-22)36-20-21-9-4-3-5-10-21/h3-19H,20H2,1-2H3/b25-18-InChIKey
GBEGQMODCMWZMI-BWAHOGKJSA-NSynonyms
929829-64-1(2E)2(13benzoxazol2yl)3(3(benzyloxy)phenyl)1(34dimethoxyphenyl)prop2en1one
(E)2(13benzoxazol2yl)1(34dimethoxyphenyl)3(3phenylmethoxyphenyl)prop2en1one
(E)2(benzo(d)oxazol2yl)3(3(benzyloxy)phenyl)1(34dimethoxyphenyl)prop2en1one
929829641
COC1=C(C=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5O4)OC
COc1cc(ccc1OC)C(=O)C(=Cc1cccc(c1)OCc1ccccc1)c1nc2c(o1)cccc2
InChI=1SC31H25NO5c13428161523(1929(28)352)30(33)25(31322613671427(26)3731)18221181224(1722)36202194351021h319H20H212H3b2518
MFCD09788853
ZINC000013548599
ZINC13548599
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