Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
Catalog ID
STK793968
SMILES CCCCOc1ccc(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 C30H31NO3 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO3/c1-5-6-19-33-24-17-13-22(14-18-24)28(32)25(29-31-26-9-7-8-10-27(26)34-29)20-21-11-15-23(16-12-21)30(2,3)4/h7-18,20H,5-6,19H2,1-4H3/b25-20-InChIKey
XILJKYVKCIYNTG-QQTULTPQSA-NSynonyms
489464-07-5(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(4tertbutylphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(4(TERTBUTYL)PHENYL)1(4BUTOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(4TERTBUTYLPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)1(4butoxyphenyl)3(4(tertbutyl)phenyl)prop2en1one
489464075
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)C(C)(C)C)c1nc2c(o1)cccc2
InChI=1SC30H31NO3c156193324171322(141824)28(32)25(2931269781027(26)3429)2021111523(161221)30(23)4h71820H5619H214H3b2520
MFCD03297728
ZINC000008915604
ZINC08915604
ZINC8915604
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