Vitas-M small molecule compound
{2-bromo-4-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK612083
SMILES OC(=O)COc1ccc(cc1Br)/C=C\1/C(=NC(=NC1=O)S)O
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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 C13H9BrN2O5S MW 385.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9BrN2O5S/c14-8-4-6(1-2-9(8)21-5-10(17)18)3-7-11(19)15-13(22)16-12(7)20/h1-4H,5H2,(H,17,18)(H2,15,16,19,20,22)InChIKey
SOOXLOAJWAGFDZ-UHFFFAOYSA-NSynonyms
(2BROMO4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(2bromo4((Z)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)phenoxy)aceticacid
2(2BROMO4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)O
InChI=1SC13H9BrN2O5Sc14846(129(8)21510(17)18)3711(19)1513(22)1612(7)20h14H5H2(H1718)(H21516192022)
MFCD08732205
OC(=O)COc1ccc(cc1Br)C=C1C(=NC(=NC1=O)S)O
ZINC000001198432
ZINC1198432
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