Vitas-M small molecule compound
{4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromophenoxy}acetic acid
Catalog ID
STK041081
SMILES N#CC1=C(C)/C(=C/c2ccc(c(c2)Br)OCC(=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 C21H15BrN4O3 MW 451.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O3/c1-10-13(5-12-3-4-17(16(22)6-12)29-9-18(27)28)19-11(2)15(8-24)21(25)26-20(19)14(10)7-23/h3-6H,9H2,1-2H3,(H2,25,26)(H,27,28)/b13-5-InChIKey
GXVGLADGEJKRCO-ACAGNQJTSA-NSynonyms
(4((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2BROMOPHENOXY)ACETICACID
(E)2(4((2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)2bromophenoxy)aceticacid
2(4((Z)(2amino37dicyano46dimethylcyclopenta(b)pyridin5ylidene)methyl)2bromophenoxy)aceticacid
CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC(=O)O)Br)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC21H15BrN4O3c11013(5123417(16(22)612)29918(27)28)1911(2)15(824)21(25)2620(19)14(10)723h36H9H212H3(H22526)(H2728)b135
MFCD03700019
N#CC1=C(C)C(=Cc2ccc(c(c2)Br)OCC(=O)O)c2c1nc(N)c(c2C)C#N
STK041081
ZINC000101427679
ZINC101427679
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