Vitas-M small molecule compound
4-({2-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK130400
SMILES N#CC1=C(C)/C(=C/c2ccccc2OCc2ccc(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 C27H20N4O3 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O3/c1-15-20(24-16(2)22(13-29)26(30)31-25(24)21(15)12-28)11-19-5-3-4-6-23(19)34-14-17-7-9-18(10-8-17)27(32)33/h3-11H,14H2,1-2H3,(H2,30,31)(H,32,33)/b20-11-InChIKey
FRHACJYUOLWMAI-JAIQZWGSSA-NSynonyms
4((2((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((Z)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)phenoxy)methyl)benzoicacid
CC1=C(C2=C(C1=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC27H20N4O3c11520(2416(2)22(1329)26(30)3125(24)21(15)1228)1119534623(19)3414177918(10817)27(32)33h311H14H212H3(H23031)(H3233)b2011
MFCD03065139
N#CC1=C(C)C(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)c2c1nc(N)c(c2C)C#N
ZINC000100252468
ZINC100252468
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