Vitas-M small molecule compound
(6Z)-6-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK073638
SMILES CCCCCCCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OCC)OCc3ccc(cc3)F)/C(=N)n2n1
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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 C28H30BrFN4O3S MW 601.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrFN4O3S/c1-3-5-6-7-8-9-24-33-34-26(31)21(27(35)32-28(34)38-24)14-19-15-22(29)25(23(16-19)36-4-2)37-17-18-10-12-20(30)13-11-18/h10-16,31H,3-9,17H2,1-2H3/b21-14-,31-26-InChIKey
SPGXICDIADVVMK-DDXLUXKKSA-NSynonyms
(6Z)6(3bromo5ethoxy4((4fluorobenzyl)oxy)benzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1sc2=NC(=O)C(=Cc3cc(Br)c(c(c3)OCC)OCc3ccc(cc3)F)C(=N)n2n1
MFCD02119171
STK073638
ZINC000064600019
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