Vitas-M small molecule compound
(6E)-2-(3,4-diethoxybenzyl)-6-(4-fluorobenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK683291
SMILES CCOc1cc(ccc1OCC)Cc1nn2c(=NC(=O)/C(=C/c3ccc(cc3)F)/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 C23H21FN4O3S MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O3S/c1-3-30-18-10-7-15(12-19(18)31-4-2)13-20-27-28-21(25)17(22(29)26-23(28)32-20)11-14-5-8-16(24)9-6-14/h5-12,25H,3-4,13H2,1-2H3/b17-11+,25-21-InChIKey
TZFRBFHVPPKWQF-UNGVNWCMSA-NSynonyms
(6E)2(34diethoxybenzyl)6(4fluorobenzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCC)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)F)C2=N)s1
MFCD05257298
ZINC000012412171
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