Vitas-M small molecule compound
2-({(E)-[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL372378
SMILES N#Cc1c(N/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2)C)sc2c1CCCC2
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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 C21H18N4O2S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S2/c1-12-5-4-6-13(9-12)25-20(27)16(18(26)24-21(25)28)11-23-19-15(10-22)14-7-2-3-8-17(14)29-19/h4-6,9,11,23H,2-3,7-8H2,1H3,(H,24,26,28)/b16-11+InChIKey
DSUYQRUODJGKTM-LFIBNONCSA-NSynonyms
2(((E)(1(3methylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((E)(1(3methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=CC=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCCC4)C#N)C(=O)NC2=S
InChI=1SC21H18N4O2S2c11254613(912)2520(27)16(18(26)2421(25)28)11231915(1022)14723817(14)2919h4691123H2378H21H3(H242628)b1611+
MFCD02908959
N#Cc1c(NC=C2C(=O)NC(=S)N(C2=O)c2cccc(c2)C)sc2c1CCCC2
ZINC000008496926
ZINC08496926
ZINC8496926
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