Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK896815
SMILES COc1ccc(cc1)C(=O)/C(=C/c1ccc(cc1)C(C)(C)C)/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 C27H25NO3 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO3/c1-27(2,3)20-13-9-18(10-14-20)17-22(25(29)19-11-15-21(30-4)16-12-19)26-28-23-7-5-6-8-24(23)31-26/h5-17H,1-4H3/b22-17-InChIKey
HCMHZYKTILSKPS-XLNRJJMWSA-NSynonyms
(2E)2(13benzoxazol2yl)3(4tertbutylphenyl)1(4methoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(4(TERTBUTYL)PHENYL)1(4METHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(4TERTBUTYLPHENYL)1(4METHOXYPHENYL)PROP2EN1ONE
CC(C)(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)C(C)(C)C)c1nc2c(o1)cccc2
InChI=1SC27H25NO3c127(23)2013918(101420)1722(25(29)19111521(304)161219)262823756824(23)3126h517H14H3b2217
MFCD03029133
ZINC000005555359
ZINC05555359
ZINC5555359
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