Vitas-M small molecule compound
3-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl 4-tert-butylbenzoate
Catalog ID
STK249105
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C)/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 C25H27NO3 MW 389.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3/c1-24(2,3)20-12-10-18(11-13-20)23(28)29-21-9-7-8-17(15-21)14-19(16-26)22(27)25(4,5)6/h7-15H,1-6H3/b19-14+InChIKey
NYAXHALBPHWXGQ-XMHGGMMESA-NSynonyms
(3((E)2cyano44dimethyl3oxopent1enyl)phenyl)4tertbutylbenzoate
3((1E)2cyano44dimethyl3oxopent1en1yl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)C(C)(C)C
InChI=1SC25H27NO3c124(23)20121018(111320)23(28)292197817(1521)1419(1626)22(27)25(45)6h715H16H3b1914+
MFCD04504096
N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C)C(=O)C(C)(C)C
ZINC000009668270
ZINC09668270
ZINC9668270
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