Vitas-M small molecule compound
(6E)-6-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK077442
SMILES CCc1cc(OCCOc2ccc(cc2OC)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)CC(C)C)cc(c1)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 C28H32N4O4S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S/c1-6-19-12-18(4)13-21(14-19)35-9-10-36-23-8-7-20(16-24(23)34-5)15-22-26(29)32-28(30-27(22)33)37-25(31-32)11-17(2)3/h7-8,12-17,29H,6,9-11H2,1-5H3/b22-15+,29-26+InChIKey
IHFGKMXXJYWWIE-DEJHIHFGSA-NSynonyms
(6E)6(4(2(3ethyl5methylphenoxy)ethoxy)3methoxybenzylidene)5imino2(2methylpropyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1cc(OCCOc2ccc(cc2OC)C=C2C(=O)N=c3n(C2=N)nc(s3)CC(C)C)cc(c1)C
MFCD03183419
STK077442
ZINC000013899506
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