Vitas-M small molecule compound
methyl 2-({(E)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL367422
SMILES COC(=O)c1c(N/C=C/2\C(=O)NC(=S)N(C2=O)c2cc(C)cc(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 C23H23N3O4S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S2/c1-12-8-13(2)10-14(9-12)26-21(28)16(19(27)25-23(26)31)11-24-20-18(22(29)30-3)15-6-4-5-7-17(15)32-20/h8-11,24H,4-7H2,1-3H3,(H,25,27,31)/b16-11+InChIKey
DBDVFNJYOFBAMO-LFIBNONCSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCCC4)C(=O)OC)C(=O)NC2=S)C
COC(=O)c1c(NC=C2C(=O)NC(=S)N(C2=O)c2cc(C)cc(c2)C)sc2c1CCCC2
InChI=1SC23H23N3O4S2c112813(2)1014(912)2621(28)16(19(27)2523(26)31)11242018(22(29)303)15645717(15)3220h81124H47H213H3(H252731)b1611+
methyl2(((E)(1(35dimethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)(1(35dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02908947
ZINC000008496922
ZINC8496922
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