Vitas-M small molecule compound
4-[(1E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-tert-butylbenzoate
Catalog ID
STK249119
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)c1ccc(cc1)C
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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 C29H27NO4 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4/c1-19-6-9-21(10-7-19)27(31)23(18-30)16-20-8-15-25(26(17-20)33-5)34-28(32)22-11-13-24(14-12-22)29(2,3)4/h6-17H,1-5H3/b23-16+InChIKey
NSFQRNVVHJOFBB-XQNSMLJCSA-NSynonyms
(4((E)2cyano3(4methylphenyl)3oxoprop1enyl)2methoxyphenyl)4tertbutylbenzoate
4((1E)2cyano3(4methylphenyl)3oxoprop1en1yl)2methoxyphenyl4tertbutylbenzoate
CC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)OC)C#N
InChI=1SC29H27NO4c1196921(10719)27(31)23(1830)162081525(26(1720)335)3428(32)22111324(141222)29(23)4h617H15H3b2316+
MFCD08680899
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C
ZINC000009668284
ZINC09668284
ZINC9668284
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