Vitas-M small molecule compound

propan-2-yl {4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}acetate

Catalog ID
STK172521
SMILES N#CC1=C(C)/C(=C/c2ccc(cc2)OCC(=O)OC(C)C)/c2c1nc(N)c(c2C)C#N

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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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c1-13(2)31-21(29)12-30-17-7-5-16(6-8-17)9-18-14(3)19(10-25)23-22(18)15(4)20(11-26)24(27)28-23/h5-9,13H,12H2,1-4H3,(H2,27,28)/b18-9-
InChIKey
LXGXLEBELUMHPM-NVMNQCDNSA-N
Synonyms

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC(=O)OC(C)C)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC24H22N4O3c113(2)3121(29)1230177516(6817)91814(3)19(1025)2322(18)15(4)20(1126)24(27)2823h5913H12H214H3(H22728)b189
MFCD05237803
N#CC1=C(C)C(=Cc2ccc(cc2)OCC(=O)OC(C)C)c2c1nc(N)c(c2C)C#N
PROPAN2YL(4((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
propan2yl2(4((Z)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)phenoxy)acetate
ZINC000100357317
ZINC100357317

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Available files

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