Vitas-M small molecule compound
N-(4-fluorophenyl)-2-{2-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetamide
Catalog ID
STK019561
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(cc1)F)/C=C/1\C(=O)NC(=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 C21H18FN3O5S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O5S/c1-25-20(28)15(19(27)24-21(25)31)9-12-3-8-16(17(10-12)29-2)30-11-18(26)23-14-6-4-13(22)5-7-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,27,31)/b15-9+InChIKey
GSYPIMMAFJYLMT-OQLLNIDSSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)C(=O)NC1=S
COc1cc(ccc1OCC(=O)Nc1ccc(cc1)F)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC21H18FN3O5Sc12520(28)15(19(27)2421(25)31)9123816(17(1012)292)301118(26)23146413(22)5714h310H11H212H3(H2326)(H242731)b159+
MFCD03226791
N(4FLUOROPHENYL)2(2METHOXY4((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETAMIDE
N(4FLUOROPHENYL)2(2METHOXY4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETAMIDE
STK019561
ZINC000001407307
ZINC01407307
ZINC1407307
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