Vitas-M small molecule compound
ethyl 4-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK188111
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-4-26-19(25)13-7-5-12(6-8-13)16-10-9-14(27-16)11-15-17(23)21(2)20(28)22(3)18(15)24/h5-11H,4H2,1-3H3InChIKey
PVSCQFLWHYTJNR-UHFFFAOYSA-NSynonyms
425652-13-7425652137
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C)C
ETHYL4(5((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ETHYL4(5((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC20H18N2O5Sc142619(25)137512(6813)1610914(2716)111517(23)21(2)20(28)22(3)18(15)24h511H4H213H3
MFCD02608574
ZINC000001180526
ZINC01180526
ZINC1180526
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