Vitas-M small molecule compound
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-(benzylsulfanyl)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK828353
SMILES O=C1N=c2snc(n2C(=N)/C/1=C/c1ccc2c(c1)OCO2)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 C20H14N4O3S2 MW 422.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O3S2/c21-17-14(8-13-6-7-15-16(9-13)27-11-26-15)18(25)22-19-24(17)20(23-29-19)28-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2/b14-8-,21-17-InChIKey
GSCODZSOFDVBPV-OHTZJGCRSA-NSynonyms
690704-01-9(6Z)6(13benzodioxol5ylmethylidene)3(benzylsulfanyl)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(Z)6(benzo(d)(13)dioxol5ylmethylene)3(benzylthio)5imino5H(124)thiadiazolo(45a)pyrimidin7(6H)one
690704019
MFCD03993116
O=C1N=c2snc(n2C(=N)C1=Cc1ccc2c(c1)OCO2)SCc1ccccc1
ZINC000008769109
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