Vitas-M small molecule compound
(5Z)-2-amino-5-[3-chloro-5-ethoxy-4-(propan-2-yloxy)benzylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK111968
SMILES CCOc1cc(cc(c1OC(C)C)Cl)/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 C24H23ClN4O2 MW 434.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O2/c1-6-30-20-9-15(8-19(25)23(20)31-12(2)3)7-16-13(4)17(10-26)22-21(16)14(5)18(11-27)24(28)29-22/h7-9,12H,6H2,1-5H3,(H2,28,29)/b16-7-InChIKey
NSEMVOVNNGPVSX-APSNUPSMSA-NSynonyms
(5Z)2amino5((3chloro5ethoxy4propan2yloxyphenyl)methylidene)46dimethylcyclopenta(b)pyridine37dicarbonitrile
(5Z)2AMINO5(3CHLORO5ETHOXY4(PROPAN2YLOXY)BENZYLIDENE)46DIMETHYL5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
CCOC1=C(C(=CC(=C1)C=C2C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C)Cl)OC(C)C
CCOc1cc(cc(c1OC(C)C)Cl)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
InChI=1SC24H23ClN4O2c163020915(819(25)23(20)3112(2)3)71613(4)17(1026)2221(16)14(5)18(1127)24(28)2922h7912H6H215H3(H22829)b167
MFCD05625523
ZINC000100371382
ZINC100371382
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