Vitas-M small molecule compound
2-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL170848
SMILES N#Cc1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-12-6-8-13(9-7-12)25-20(27)16(18(26)24-21(25)28)11-23-19-15(10-22)14-4-2-3-5-17(14)29-19/h6-9,11,23H,2-5H2,1H3,(H,24,26,28)/b16-11-InChIKey
DJZJDMPOLSUHAO-WJDWOHSUSA-NSynonyms
352684-48-12(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
352684481
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCCC4)C#N)C(=O)NC2=O
InChI=1SC21H18N4O3Sc1126813(9712)2520(27)16(18(26)2421(25)28)11231915(1022)14423517(14)2919h691123H25H21H3(H242628)b1611
MFCD01178310
N#Cc1c(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)sc2c1CCCC2
ZINC000005601329
ZINC05601329
ZINC5601329
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