Vitas-M small molecule compound
methyl 2-({(E)-[1-(3-chloro-4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL367424
SMILES COC(=O)c1c(N/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(c(c2)Cl)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 C22H20ClN3O4S2 MW 490.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O4S2/c1-11-7-8-12(9-15(11)23)26-20(28)14(18(27)25-22(26)31)10-24-19-17(21(29)30-2)13-5-3-4-6-16(13)32-19/h7-10,24H,3-6H2,1-2H3,(H,25,27,31)/b14-10+InChIKey
DPUDRYQLBGTUEY-GXDHUFHOSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCCC4)C(=O)OC)C(=O)NC2=S)Cl
COC(=O)c1c(NC=C2C(=O)NC(=S)N(C2=O)c2ccc(c(c2)Cl)C)sc2c1CCCC2
InChI=1SC22H20ClN3O4S2c1117812(915(11)23)2620(28)14(18(27)2522(26)31)10241917(21(29)302)13534616(13)3219h71024H36H212H3(H252731)b1410+
methyl2(((E)(1(3chloro4methylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)(1(3chloro4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02908829
ZINC000008496930
ZINC8496930
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