Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-(3-ethoxy-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK153933
SMILES CCOc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
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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)30-21(24-25)29-12-13-6-4-3-5-7-13/h3-11,22,26H,2,12H2,1H3/b15-10-,22-18-InChIKey
KWBHEQRVPLZDLG-QPEJOODUSA-NSynonyms
(6Z)2(benzylsulfanyl)6(3ethoxy4hydroxybenzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)6(3ethoxy4hydroxybenzylidene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(ccc1O)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD04009851
ZINC000013510486
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