Vitas-M small molecule compound
methyl 2-[(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoate
Catalog ID
STK772448
SMILES COC(=O)c1ccccc1/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)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 C22H27NO3 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3/c1-21(2,3)16-12-14(13-17(19(16)24)22(4,5)6)23-18-11-9-8-10-15(18)20(25)26-7/h8-13H,1-7H3InChIKey
VHBTZDSTAVKXHP-UHFFFAOYSA-NSynonyms
634169-87-2634169872
CC(C)(C)C1=CC(=NC2=CC=CC=C2C(=O)OC)C=C(C1=O)C(C)(C)C
COC(=O)c1ccccc1N=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
InChI=1SC22H27NO3c121(23)161214(1317(19(16)24)22(45)6)231811981015(18)20(25)267h813H17H3
methyl2((35ditertbutyl4oxocyclohexa25dien1ylidene)amino)benzoate
MFCD03694018
ZINC000004349308
ZINC04349308
ZINC4349308
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