Vitas-M small molecule compound
{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STK514415
SMILES COc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=S)NC1=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 C14H12N2O6S MW 336.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O6S/c1-21-10-5-7(2-3-9(10)22-6-11(17)18)4-8-12(19)15-14(23)16-13(8)20/h2-5H,6H2,1H3,(H,17,18)(H2,15,16,19,20,23)InChIKey
UFJVAPIRHXWKRM-UHFFFAOYSA-NSynonyms
(4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC(=O)O
InChI=1SC14H12N2O6Sc1211057(239(10)22611(17)18)4812(19)1514(23)1613(8)20h25H6H21H3(H1718)(H21516192023)
MFCD01064547
ZINC000005023301
ZINC5023301
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