Vitas-M small molecule compound
2-[(3-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK176892
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C29H22N4O3 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O3/c1-18-11-19(2)13-23(12-18)33-28(35)25(27(34)31-29(33)36)14-22-17-32(26-10-6-5-9-24(22)26)16-21-8-4-3-7-20(21)15-30/h3-14,17H,16H2,1-2H3,(H,31,34,36)/b25-14+InChIKey
AVODYXDBANZOLF-AFUMVMLFSA-NSynonyms
2((3((1(35DIMETHYLPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)INDOLYL)METHYL)BENZENECARBONITRILE
2((3((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C(=O)NC2=O)C
InChI=1SC29H22N4O3c1181119(2)1323(1218)3328(35)25(27(34)3129(33)36)14221732(261065924(22)26)1621843720(21)1530h31417H16H212H3(H313436)b2514+
MFCD01655732
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
ZINC000004047876
ZINC04047876
ZINC4047876
Check stock
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Check stock on Vitas-MAvailable files
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