Vitas-M small molecule compound
methyl 4-{5-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK169474
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
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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/c1-13-18(22-14(2)20(12-27)24(28)29-23(22)19(13)11-26)10-17-8-9-21(32-17)15-4-6-16(7-5-15)25(30)31-3/h4-10H,1-3H3,(H2,28,29)/b18-10-InChIKey
XLFDVJOVZCCNTN-ZDLGFXPLSA-NSynonyms
CC1=C(C2=C(C1=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC)C(=C(C(=N2)N)C#N)C)C#N
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
InChI=1SC25H18N4O3c11318(2214(2)20(1227)24(28)2923(22)19(13)1126)10178921(3217)154616(7515)25(30)313h410H13H3(H22829)b1810
METHYL4(5((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL4(5((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD03700029
ZINC000101675834
ZINC101675834
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