Vitas-M small molecule compound
(6Z)-6-(3-ethoxy-4-hydroxybenzylidene)-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017649
SMILES CCOc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-2-28-17-11-13(8-9-16(17)26)10-15-19(22)25-21(23-20(15)27)30-18(24-25)12-29-14-6-4-3-5-7-14/h3-11,22,26H,2,12H2,1H3/b15-10-,22-19-InChIKey
YEQPKEBXIBTIJW-QIFPNIGCSA-NSynonyms
(6Z)6(3ethoxy4hydroxybenzylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1O)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD08049697
STK017649
ZINC000008984920
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