Vitas-M small molecule compound
3-({4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK169478
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
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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 C28H22N4O4 MW 478.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4/c1-15-20(25-16(2)22(13-30)27(31)32-26(25)21(15)12-29)10-17-7-8-23(24(11-17)35-3)36-14-18-5-4-6-19(9-18)28(33)34/h4-11H,14H2,1-3H3,(H2,31,32)(H,33,34)/b20-10-InChIKey
JCOMAFUUJOCYMV-JMIUGGIZSA-NSynonyms
(Z)3((4((2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
3((4((2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN1IUM5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOATE
3((4((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)OC)C(=C(C(=N2)N)C#N)C)C#N
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
InChI=1SC28H22N4O4c11520(2516(2)22(1330)27(31)3226(25)21(15)1229)10177823(24(1117)353)36141854619(918)28(33)34h411H14H213H3(H23132)(H3334)b2010
MFCD02998121
ZINC000100797663
ZINC100797663
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