Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK793972
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1ccccc1OC)/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 C27H25NO4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO4/c1-3-4-17-31-21-15-13-19(14-16-21)26(29)22(18-20-9-5-7-11-24(20)30-2)27-28-23-10-6-8-12-25(23)32-27/h5-16,18H,3-4,17H2,1-2H3/b22-18-InChIKey
CZRQXRRGBHIJGR-PYCFMQQDSA-NSynonyms
488731-13-1(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(2methoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL1(4BUTOXYPHENYL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)1(4butoxyphenyl)3(2methoxyphenyl)prop2en1one
488731131
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OC)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccccc1OC)c1nc2c(o1)cccc2
InChI=1SC27H25NO4c134173121151319(141621)26(29)22(18209571124(20)302)27282310681225(23)3227h51618H3417H212H3b2218
MFCD03291735
ZINC000009031495
ZINC09031495
ZINC9031495
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