Vitas-M small molecule compound
2-({3-[(E)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Catalog ID
STK198263
SMILES CCCN1C(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccccc2C#N)/C(=O)N(C1=S)c1ccccc1
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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 C30H24N4O2S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N4O2S/c1-2-16-33-28(35)26(29(36)34(30(33)37)24-12-4-3-5-13-24)17-23-20-32(27-15-9-8-14-25(23)27)19-22-11-7-6-10-21(22)18-31/h3-15,17,20H,2,16,19H2,1H3/b26-17+InChIKey
KEXHJSVWJXIUHI-YZSQISJMSA-NSynonyms
2((3((E)(46dioxo1phenyl3propyl2sulfanylidene13diazinan5ylidene)methyl)indol1yl)methyl)benzonitrile
2((3((E)(46DIOXO1PHENYL3PROPYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C(=O)N(C1=S)C5=CC=CC=C5
CCCN1C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2C#N)C(=O)N(C1=S)c1ccccc1
InChI=1SC30H24N4O2Sc12163328(35)26(29(36)34(30(33)37)24124351324)17232032(2715981425(23)27)192211761021(22)1831h3151720H21619H21H3b2617+
MFCD04543007
ZINC000009311856
ZINC09311856
ZINC9311856
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