Vitas-M small molecule compound
ethyl {2-bromo-4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-ethoxyphenoxy}acetate
Catalog ID
STK188112
SMILES CCOC(=O)COc1c(Br)cc(cc1OCC)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C19H21BrN2O6S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O6S/c1-5-26-14-9-11(8-13(20)16(14)28-10-15(23)27-6-2)7-12-17(24)21(3)19(29)22(4)18(12)25/h7-9H,5-6,10H2,1-4H3InChIKey
VJDOWBAYAUSRAV-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)Br)OCC(=O)OCC
ETHYL(2BROMO4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6ETHOXYPHENOXY)ACETATE
ethyl2(2bromo4((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)6ethoxyphenoxy)acetate
InChI=1SC19H21BrN2O6Sc152614911(813(20)16(14)281015(23)2762)71217(24)21(3)19(29)22(4)18(12)25h79H5610H214H3
MFCD02779871
ZINC000009311587
ZINC09311587
ZINC9311587
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