Vitas-M small molecule compound
(6E)-2-(3,4-dimethoxybenzyl)-5-imino-6-[4-(methylsulfanyl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712803
SMILES CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(c(c1)OC)OC
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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 C22H20N4O3S2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S2/c1-28-17-9-6-14(11-18(17)29-2)12-19-25-26-20(23)16(21(27)24-22(26)31-19)10-13-4-7-15(30-3)8-5-13/h4-11,23H,12H2,1-3H3/b16-10+,23-20-InChIKey
KNLYOPVVKPOVEQ-XFNLHSONSA-NSynonyms
(6E)2(34dimethoxybenzyl)5imino6(4(methylsulfanyl)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(34dimethoxybenzyl)5imino6(4(methylthio)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CSc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(c(c1)OC)OC
MFCD13371499
ZINC000036082021
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