Vitas-M small molecule compound
(6Z)-6-(3-ethoxy-4-hydroxybenzylidene)-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727505
SMILES CCOc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
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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/c1-3-29-18-11-14(8-9-16(18)27)10-15-20(23)26-22(24-21(15)28)31-19(25-26)12-30-17-7-5-4-6-13(17)2/h4-11,23,27H,3,12H2,1-2H3/b15-10-,23-20-InChIKey
TWZDKZDJEDNFMF-OWEPPIQCSA-NSynonyms
(6Z)6(3ethoxy4hydroxybenzylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4hydroxybenzylidene)5imino2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(ccc1O)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
MFCD03256793
ZINC000009461857
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