Vitas-M small molecule compound
5-bromo-4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl acetate
Catalog ID
STK521761
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)c(cc1OC(=O)C)Br
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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 C14H11BrN2O5S MW 399.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11BrN2O5S/c1-6(18)22-11-5-9(15)7(4-10(11)21-2)3-8-12(19)16-14(23)17-13(8)20/h3-5H,1-2H3,(H2,16,17,19,20,23)InChIKey
ZUBCSENLCPNQKC-UHFFFAOYSA-NSynonyms
(5BROMO4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)ACETATE
5bromo4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)NC2=O)OC
InChI=1SC14H11BrN2O5Sc16(18)221159(15)7(410(11)212)3812(19)1614(23)1713(8)20h35H12H3(H21617192023)
MFCD03718677
ZINC000001121304
ZINC01121304
ZINC1121304
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