Vitas-M small molecule compound
methyl {2-bromo-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Catalog ID
STK045853
SMILES COC(=O)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=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 C15H13BrN2O5S MW 413.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN2O5S/c1-18-14(21)9(13(20)17-15(18)24)5-8-3-4-11(10(16)6-8)23-7-12(19)22-2/h3-6H,7H2,1-2H3,(H,17,20,24)/b9-5+InChIKey
XIYUUEGTIWLMPF-WEVVVXLNSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)OC)Br)C(=O)NC1=S
COC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC15H13BrN2O5Sc11814(21)9(13(20)1715(18)24)583411(10(16)68)23712(19)222h36H7H212H3(H172024)b95+
METHYL(2BROMO4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
methyl2(2bromo4((E)(1methyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
MFCD03228484
STK045853
ZINC000009311650
ZINC09311650
ZINC9311650
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