Vitas-M small molecule compound
ethyl {4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromophenoxy}acetate
Catalog ID
STK169467
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)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 C23H19BrN4O3 MW 479.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O3/c1-4-30-20(29)11-31-19-6-5-14(8-18(19)24)7-15-12(2)16(9-25)22-21(15)13(3)17(10-26)23(27)28-22/h5-8H,4,11H2,1-3H3,(H2,27,28)/b15-7-InChIKey
PJJIGLPHTCJXEZ-CHHVJCJISA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C)Br
CCOC(=O)COc1ccc(cc1Br)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
ETHYL(4((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2BROMOPHENOXY)ACETATE
ethyl2(4((Z)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)2bromophenoxy)acetate
InChI=1SC23H19BrN4O3c143020(29)1131196514(818(19)24)71512(2)16(925)2221(15)13(3)17(1026)23(27)2822h58H411H213H3(H22728)b157
MFCD06663262
ZINC000101675797
ZINC101675797
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