Vitas-M small molecule compound
(2Z)-2-(1,3-benzoxazol-2-yl)-3-(4-tert-butylphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
Catalog ID
STK823281
SMILES CCCOc1ccc(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 C29H29NO3 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO3/c1-5-18-32-23-16-12-21(13-17-23)27(31)24(28-30-25-8-6-7-9-26(25)33-28)19-20-10-14-22(15-11-20)29(2,3)4/h6-17,19H,5,18H2,1-4H3/b24-19+InChIKey
MLVZRIFGYOXTAR-LYBHJNIJSA-NSynonyms
(2Z)2(13benzoxazol2yl)3(4tertbutylphenyl)1(4propoxyphenyl)prop2en1one
(Z)2(13benzoxazol2yl)3(4tertbutylphenyl)1(4propoxyphenyl)prop2en1one
CCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4O3
CCCOc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)C(C)(C)C)c1nc2c(o1)cccc2
InChI=1SC29H29NO3c15183223161221(131723)27(31)24(283025867926(25)3328)1920101422(151120)29(23)4h61719H518H214H3b2419+
MFCD03463815
ZINC000027019103
ZINC27019103
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