Vitas-M small molecule compound

(2Z)-2-(1,3-benzoxazol-2-yl)-3-[3-(benzyloxy)phenyl]-1-(3,5-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK623872
SMILES COc1cc(OC)cc(c1)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/c1-34-25-17-23(18-26(19-25)35-2)30(33)27(31-32-28-13-6-7-14-29(28)37-31)16-22-11-8-12-24(15-22)36-20-21-9-4-3-5-10-21/h3-19H,20H2,1-2H3/b27-16+
InChIKey
NHSQIMDPQMFKAV-JVWAILMASA-N
Synonyms
929826-01-7
(2Z)2(13benzoxazol2yl)3(3(benzyloxy)phenyl)1(35dimethoxyphenyl)prop2en1one
(Z)2(13benzoxazol2yl)1(35dimethoxyphenyl)3(3phenylmethoxyphenyl)prop2en1one
(Z)2(benzo(d)oxazol2yl)3(3(benzyloxy)phenyl)1(35dimethoxyphenyl)prop2en1one
929826017
COC1=CC(=CC(=C1)C(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5O4)OC
COc1cc(OC)cc(c1)C(=O)C(=Cc1cccc(c1)OCc1ccccc1)c1nc2c(o1)cccc2
InChI=1SC31H25NO5c134251723(1826(1925)352)30(33)27(31322813671429(28)3731)16221181224(1522)36202194351021h319H20H212H3b2716+
MFCD09791181
ZINC000008991567
ZINC08991567
ZINC8991567

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Available files

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