Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl 3,4-dichlorobenzoate
Catalog ID
STK249102
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(c(c1)Cl)Cl)/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 C21H17Cl2NO3 MW 402.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO3/c1-21(2,3)19(25)15(12-24)10-13-4-7-16(8-5-13)27-20(26)14-6-9-17(22)18(23)11-14/h4-11H,1-3H3/b15-10+InChIKey
TXVZQPURSYQQHO-XNTDXEJSSA-NSynonyms
(4((E)2cyano44dimethyl3oxopent1enyl)phenyl)34dichlorobenzoate
4((1E)2cyano44dimethyl3oxopent1en1yl)phenyl34dichlorobenzoate
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C#N
InChI=1SC21H17Cl2NO3c121(23)19(25)15(1224)10134716(8513)2720(26)146917(22)18(23)1114h411H13H3b1510+
MFCD04560066
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(c(c1)Cl)Cl)C(=O)C(C)(C)C
ZINC000009668267
ZINC09668267
ZINC9668267
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