Vitas-M small molecule compound
(6E)-5-imino-6-[3-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK052799
SMILES COc1cc(ccc1OCCOc1ccccc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-14-25-26-20(23)17(21(27)24-22(26)31-14)12-15-8-9-18(19(13-15)28-2)30-11-10-29-16-6-4-3-5-7-16/h3-9,12-13,23H,10-11H2,1-2H3/b17-12+,23-20+InChIKey
AREHQCXILQGCLL-RZPAUPBHSA-NSynonyms
(6E)5imino6(3methoxy4(2phenoxyethoxy)benzylidene)2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)C
MFCD03182992
STK052799
ZINC000013943769
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