Vitas-M small molecule compound
2-{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}propanoic acid
Catalog ID
STK169433
SMILES N#CC1=C(C)/C(=C\c2ccc(cc2)OC(C(=O)O)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 C22H18N4O3 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3/c1-11-16(8-14-4-6-15(7-5-14)29-13(3)22(27)28)19-12(2)18(10-24)21(25)26-20(19)17(11)9-23/h4-8,13H,1-3H3,(H2,25,26)(H,27,28)/b16-8+InChIKey
DCNBXWWNPKTTHA-LZYBPNLTSA-NSynonyms
2(4((E)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((E)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)phenoxy)propanoicacid
CC1=C(C2=C(C1=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC22H18N4O3c11116(8144615(7514)2913(3)22(27)28)1912(2)18(1024)21(25)2620(19)17(11)923h4813H13H3(H22526)(H2728)b168+
MFCD02789971
N#CC1=C(C)C(=Cc2ccc(cc2)OC(C(=O)O)C)c2c1nc(N)c(c2C)C#N
ZINC000004703204
ZINC000004703205
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