Vitas-M small molecule compound
2-[(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK192530
SMILES CCCCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2C#N)/C1=O
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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 C31H26N4O2S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O2S/c1-2-3-8-21-13-15-25(16-14-21)35-30(37)27(29(36)33-31(35)38)17-24-20-34(28-12-7-6-11-26(24)28)19-23-10-5-4-9-22(23)18-32/h4-7,9-17,20H,2-3,8,19H2,1H3,(H,33,36,38)/b27-17-InChIKey
ZZGKMFCXVONBSK-PKAZHMFMSA-NSynonyms
(E)2((3((1(4butylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)methyl)benzonitrile
2((3((Z)(1(4BUTYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((Z)(1(4BUTYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C(=O)NC2=S
CCCCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2C#N)C1=O
InChI=1SC31H26N4O2Sc123821131525(161421)3530(37)27(29(36)3331(35)38)17242034(2812761126(24)28)19231054922(23)1832h4791720H23819H21H3(H333638)b2717
MFCD02195183
ZINC000009311132
ZINC09311132
ZINC9311132
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.