Vitas-M small molecule compound
3-{5-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK115677
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2cccc(c2C)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 C25H18N4O3 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O3/c1-12-16(5-4-6-17(12)25(30)31)21-8-7-15(32-21)9-18-13(2)19(10-26)23-22(18)14(3)20(11-27)24(28)29-23/h4-9H,1-3H3,(H2,28,29)(H,30,31)/b18-9-InChIKey
VRRFOVSRBPDTDI-NVMNQCDNSA-NSynonyms
3(5((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
3(5((Z)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)furan2yl)2methylbenzoicacid
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=C(C4=C3C(=C(C(=N4)N)C#N)C)C#N)C
InChI=1SC25H18N4O3c11216(54617(12)25(30)31)218715(3221)91813(2)19(1026)2322(18)14(3)20(1127)24(28)2923h49H13H3(H22829)(H3031)b189
MFCD07546841
N#CC1=C(C)C(=Cc2ccc(o2)c2cccc(c2C)C(=O)O)c2c1nc(N)c(c2C)C#N
ZINC000100388836
ZINC100388836
Check stock
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