Vitas-M small molecule compound
2-{4-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid
Catalog ID
STK191558
SMILES CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)N(CC)C(=S)N(C1=O)CC
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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 C20H24N2O6S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O6S/c1-5-21-17(23)14(18(24)22(6-2)20(21)29)10-13-8-9-15(16(11-13)27-7-3)28-12(4)19(25)26/h8-12H,5-7H2,1-4H3,(H,25,26)InChIKey
RDFIZUVNHBCRQY-UHFFFAOYSA-NSynonyms
2(4((13DIETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((13DIETHYL46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((13DIETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(C)C(=O)O)OCC)C(=O)N(C1=S)CC
InChI=1SC20H24N2O6Sc152117(23)14(18(24)22(62)20(21)29)10138915(16(1113)2773)2812(4)19(25)26h812H57H214H3(H2526)
MFCD03228208
ZINC000004660385
ZINC000004660386
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