Vitas-M small molecule compound
ethyl 4-{5-[(Z)-(1-ethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK122574
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NC(=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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-3-22-18(24)15(17(23)21-20(22)28)11-14-9-10-16(27-14)12-5-7-13(8-6-12)19(25)26-4-2/h5-11H,3-4H2,1-2H3,(H,21,23,28)/b15-11-InChIKey
SLHBYZYZEVWLSV-PTNGSMBKSA-NSynonyms
CCN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC)C(=O)NC1=S
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)CC
ETHYL4(5((Z)(1ETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ETHYL4(5((Z)(1ETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC20H18N2O5Sc132218(24)15(17(23)2120(22)28)111491016(2714)125713(8612)19(25)2642h511H34H212H3(H212328)b1511
MFCD04128858
ZINC000004698974
ZINC04698974
ZINC4698974
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