Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]-2-methoxyphenyl 2-methylbenzoate
Catalog ID
STK868533
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccccc1C)/C(=O)C(C)(C)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 C23H23NO4 MW 377.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4/c1-15-8-6-7-9-18(15)22(26)28-19-11-10-16(13-20(19)27-5)12-17(14-24)21(25)23(2,3)4/h6-13H,1-5H3/b17-12+InChIKey
VXVAHHOFEXSILB-SFQUDFHCSA-NSynonyms
914628-70-9(4((E)2cyano44dimethyl3oxopent1enyl)2methoxyphenyl)2methylbenzoate
4((1E)2cyano44dimethyl3oxopent1en1yl)2methoxyphenyl2methylbenzoate
914628709
CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)C(C)(C)C)OC
InChI=1SC23H23NO4c115867918(15)22(26)2819111016(1320(19)275)1217(1424)21(25)23(23)4h613H15H3b1712+
MFCD04566553
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1C)C(=O)C(C)(C)C
ZINC000039315684
ZINC39315684
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