Vitas-M small molecule compound
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712802
SMILES COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)/C2=N)s1
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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 C22H18N4O5S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S/c1-28-15-5-3-13(8-17(15)29-2)10-19-25-26-20(23)14(21(27)24-22(26)32-19)7-12-4-6-16-18(9-12)31-11-30-16/h3-9,23H,10-11H2,1-2H3/b14-7+,23-20-InChIKey
YFIOUVYNTGPHKA-DIIQAFKGSA-NSynonyms
(6E)6(13benzodioxol5ylmethylidene)2(34dimethoxybenzyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(benzo(d)(13)dioxol5ylmethylene)2(34dimethoxybenzyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OC)Cc1nn2c(=NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=N)s1
MFCD13371498
ZINC000035146284
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