Vitas-M small molecule compound
2-(3-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
Catalog ID
STK047144
SMILES N#Cc1c(C)c(sc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C)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 C26H24N4O3S MW 472.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3S/c1-13-7-14(2)9-20(8-13)30-24(32)21(23(31)28-26(30)33)11-19-10-15(3)29(17(19)5)25-22(12-27)16(4)18(6)34-25/h7-11H,1-6H3,(H,28,31,33)/b21-11+InChIKey
KMGDVPUZGCAPGJ-SRZZPIQSSA-NSynonyms
2(3((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
2(3((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C(=C(S4)C)C)C#N)C)C(=O)NC2=O)C
InChI=1SC26H24N4O3Sc113714(2)920(813)3024(32)21(23(31)2826(30)33)11191015(3)29(17(19)5)2522(1227)16(4)18(6)3425h711H16H3(H283133)b2111+
MFCD03237973
N#Cc1c(C)c(sc1n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C)C
STK047144
ZINC000009259859
ZINC09259859
ZINC9259859
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.