Vitas-M small molecule compound
(6E)-2-(1,3-benzodioxol-5-yl)-5-imino-6-[4-(propan-2-yl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225023
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(cc1)C(C)C)c1ccc2c(c1)OCO2
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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-12(2)14-5-3-13(4-6-14)9-16-19(23)26-22(24-20(16)27)30-21(25-26)15-7-8-17-18(10-15)29-11-28-17/h3-10,12,23H,11H2,1-2H3/b16-9+,23-19-InChIKey
KRLUTJWEVVZMJQ-PSKGEBOYSA-NSynonyms
(6E)2(13benzodioxol5yl)5imino6(4(propan2yl)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzo(d)(13)dioxol5yl)5imino6(4isopropylbenzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24858002
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(cc1)C(C)C)c1ccc2c(c1)OCO2
ZINC000080348219
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