Vitas-M small molecule compound
2-({3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Catalog ID
STK024928
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)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 C22H16N4O2S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O2S/c1-25-21(28)18(20(27)24-22(25)29)10-16-13-26(19-9-5-4-8-17(16)19)12-15-7-3-2-6-14(15)11-23/h2-10,13H,12H2,1H3,(H,24,27,29)/b18-10+InChIKey
OVDRDPDQKOGFFJ-VCHYOVAHSA-NSynonyms
2((3((1METHYL46DIOXO2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)INDOLYL)METHYL)BENZENECARBONITRILE
2((3((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C(=O)NC1=S
InChI=1SC22H16N4O2Sc12521(28)18(20(27)2422(25)29)10161326(19954817(16)19)1215732614(15)1123h21013H12H21H3(H242729)b1810+
MFCD03226792
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)C
STK024928
ZINC000001053446
ZINC01053446
ZINC1053446
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