Vitas-M small molecule compound
(2E)-2-(1,3-benzoxazol-2-yl)-3-[4-(propan-2-yl)phenyl]-1-(4-propoxyphenyl)prop-2-en-1-one
Catalog ID
STK896763
SMILES CCCOc1ccc(cc1)C(=O)/C(=C/c1ccc(cc1)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 C28H27NO3 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO3/c1-4-17-31-23-15-13-22(14-16-23)27(30)24(18-20-9-11-21(12-10-20)19(2)3)28-29-25-7-5-6-8-26(25)32-28/h5-16,18-19H,4,17H2,1-3H3/b24-18-InChIKey
HFDROJLHVNYNGZ-MOHJPFBDSA-NSynonyms
(2E)2(13benzoxazol2yl)3(4(propan2yl)phenyl)1(4propoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL3(4(METHYLETHYL)PHENYL)1(4PROPOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)3(4PROPAN2YLPHENYL)1(4PROPOXYPHENYL)PROP2EN1ONE
CCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(C)C)C3=NC4=CC=CC=C4O3
CCCOc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)C(C)C)c1nc2c(o1)cccc2
InChI=1SC28H27NO3c14173123151322(141623)27(30)24(182091121(121020)19(2)3)282925756826(25)3228h5161819H417H213H3b2418
MFCD03029188
ZINC000005547978
ZINC05547978
ZINC5547978
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