Vitas-M small molecule compound
(2E)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Catalog ID
STK807050
SMILES COc1cc(/C=C/C(=O)Nc2nnc(s2)SCC(=O)c2ccc(cc2)F)cc(c1OC)OC
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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 C22H20FN3O5S2 MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O5S2/c1-29-17-10-13(11-18(30-2)20(17)31-3)4-9-19(28)24-21-25-26-22(33-21)32-12-16(27)14-5-7-15(23)8-6-14/h4-11H,12H2,1-3H3,(H,24,25,28)/b9-4+InChIKey
OFGFKOFUEMJDOB-RUDMXATFSA-NSynonyms
(2E)N(5((2(4fluorophenyl)2oxoethyl)sulfanyl)134thiadiazol2yl)3(345trimethoxyphenyl)prop2enamide
(2E)N(5(2(4FLUOROPHENYL)2OXOETHYLTHIO)(134THIADIAZOL2YL))3(345TRIMETHOXYPHENYL)PROP2ENAMIDE
(E)N(5(2(4FLUOROPHENYL)2OXOETHYL)SULFANYL134THIADIAZOL2YL)3(345TRIMETHOXYPHENYL)PROP2ENAMIDE
COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F
COc1cc(C=CC(=O)Nc2nnc(s2)SCC(=O)c2ccc(cc2)F)cc(c1OC)OC
InChI=1SC22H20FN3O5S2c129171013(1118(302)20(17)313)4919(28)2421252622(3321)321216(27)145715(23)8614h411H12H213H3(H242528)b94+
MFCD03621192
ZINC000002684123
ZINC02684123
ZINC2684123
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