Vitas-M small molecule compound
{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxy-6-(prop-2-en-1-yl)phenoxy}acetic acid
Catalog ID
STK191661
SMILES C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCC(=O)O)OC
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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 C17H16N2O6S MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S/c1-3-4-10-5-9(6-11-15(22)18-17(26)19-16(11)23)7-12(24-2)14(10)25-8-13(20)21/h3,5-7H,1,4,8H2,2H3,(H,20,21)(H2,18,19,22,23,26)InChIKey
KJXBVPVAFADUSR-UHFFFAOYSA-NSynonyms
347385-84-6(4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXY6(PROP2EN1YL)PHENOXY)ACETICACID
(4((Z)(6HYDROXY4OXO2SULFANYLPYRIMIDIN5(4H)YLIDENE)METHYL)2METHOXY6(PROP2EN1YL)PHENOXY)ACETICACID
2(2allyl4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)6methoxyphenoxy)aceticacid
2(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXY6PROP2ENYLPHENOXY)ACETICACID
347385846
COC1=CC(=CC(=C1OCC(=O)O)CC=C)C=C2C(=O)NC(=S)NC2=O
InChI=1SC17H16N2O6Sc1341059(61115(22)1817(26)1916(11)23)712(242)14(10)25813(20)21h357H148H22H3(H2021)(H21819222326)
MFCD02628903
ZINC2313779
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