Vitas-M small molecule compound
2-({(Z)-[1-(3-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL295388
SMILES N#Cc1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)Cl)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 C20H15ClN4O3S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O3S/c21-11-4-3-5-12(8-11)25-19(27)15(17(26)24-20(25)28)10-23-18-14(9-22)13-6-1-2-7-16(13)29-18/h3-5,8,10,23H,1-2,6-7H2,(H,24,26,28)/b15-10-InChIKey
QSLBDWWZYVRCNM-GDNBJRDFSA-NSynonyms
2(((Z)(1(3chlorophenyl)246trioxo13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((Z)(1(3chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)NC=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)C#N
InChI=1SC20H15ClN4O3Sc211143512(811)2519(27)15(17(26)2420(25)28)10231814(922)13612716(13)2918h3581023H1267H2(H242628)b1510
MFCD01178147
N#Cc1c(NC=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Cl)sc2c1CCCC2
ZINC000008430638
ZINC8430638
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