Vitas-M small molecule compound
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-diethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK683292
SMILES CCOc1cc(ccc1OCC)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 C24H22N4O5S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S/c1-3-30-17-7-6-15(11-19(17)31-4-2)12-21-27-28-22(25)16(23(29)26-24(28)34-21)9-14-5-8-18-20(10-14)33-13-32-18/h5-11,25H,3-4,12-13H2,1-2H3/b16-9+,25-22-InChIKey
WZPYANCXCXHECH-MECZOEAZSA-NSynonyms
(6E)6(13benzodioxol5ylmethylidene)2(34diethoxybenzyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCC)Cc1nn2c(=NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=N)s1
MFCD05257299
ZINC000012412175
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