Vitas-M small molecule compound

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

Catalog ID
STK177118
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)O)/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 C24H16N4O3 MW 408.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N4O3/c1-12-17(21-13(2)19(11-26)23(27)28-22(21)18(12)10-25)9-16-7-8-20(31-16)14-3-5-15(6-4-14)24(29)30/h3-9H,1-2H3,(H2,27,28)(H,29,30)/b17-9-
InChIKey
WPBMKMXMEFLDDJ-MFOYZWKCSA-N
Synonyms

4(5((2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
4(5((2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C2=C(C1=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC24H16N4O3c11217(2113(2)19(1126)23(27)2822(21)18(12)1025)9167820(3116)143515(6414)24(29)30h39H12H3(H22728)(H2930)b179
MFCD01648396
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)c2c1nc(N)c(c2C)C#N
ZINC000100195471
ZINC100195471

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Available files

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