Vitas-M small molecule compound
2-{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid
Catalog ID
STK191554
SMILES CCOc1cc(ccc1OC(C(=O)O)C)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 C16H16N2O6S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S/c1-3-23-12-7-9(4-5-11(12)24-8(2)15(21)22)6-10-13(19)17-16(25)18-14(10)20/h4-8H,3H2,1-2H3,(H,21,22)(H2,17,18,19,20,25)InChIKey
TXUNSCVBQOUELZ-UHFFFAOYSA-NSynonyms
(2R)2(4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
(2S)2(4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(C)C(=O)O
InChI=1SC16H16N2O6Sc13231279(4511(12)248(2)15(21)22)61013(19)1716(25)1814(10)20h48H3H212H3(H2122)(H21718192025)
MFCD03992059
ZINC000004725166
ZINC000004725167
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