Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-(3-ethoxy-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK072388
SMILES CCOc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
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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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-2-28-17-11-14(8-9-16(17)26)10-15-18(22)25-20(23-19(15)27)30-24-21(25)29-12-13-6-4-3-5-7-13/h3-11,22,26H,2,12H2,1H3/b15-10-,22-18-InChIKey
WOHIECLTMZBJRI-QPEJOODUSA-NSynonyms
(6Z)3(benzylsulfanyl)6(3ethoxy4hydroxybenzylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
CCOc1cc(ccc1O)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD08672934
STK072388
ZINC000013898817
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