Vitas-M small molecule compound
methyl 4-chloro-2-({[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL077533
SMILES COC(=O)c1ccc(cc1NC(=O)Cn1c2ccsc2c(=O)n(c1=O)c1ccc(c(c1)C)C)Cl
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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 C24H20ClN3O5S MW 497.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O5S/c1-13-4-6-16(10-14(13)2)28-22(30)21-19(8-9-34-21)27(24(28)32)12-20(29)26-18-11-15(25)5-7-17(18)23(31)33-3/h4-11H,12H2,1-3H3,(H,26,29)InChIKey
IAIXGKGTDQHUSS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=C(C=CC(=C4)Cl)C(=O)OC)C
InChI=1SC24H20ClN3O5Sc1134616(1014(13)2)2822(30)2119(893421)27(24(28)32)1220(29)26181115(25)5717(18)23(31)333h411H12H213H3(H2629)
methyl4chloro2(((3(34dimethylphenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
methyl4chloro2((2(3(34dimethylphenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
MFCD18198760
ZINC000067218039
ZINC67218039
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