Vitas-M small molecule compound

(6Z)-6-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STK558334
SMILES CCOc1cc(cc(c1OCc1ccccc1F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

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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 C26H19ClFN5O3S MW 535.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClFN5O3S/c1-2-35-21-12-15(11-19(27)22(21)36-14-17-6-3-4-8-20(17)28)10-18-23(29)33-26(31-24(18)34)37-25(32-33)16-7-5-9-30-13-16/h3-13,29H,2,14H2,1H3/b18-10-,29-23-
InChIKey
CBMKQQCIRANCHZ-VZLAIBMRSA-N
Synonyms
578732-94-2
(6Z)6(3chloro5ethoxy4((2fluorobenzyl)oxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro5ethoxy4((2fluorobenzyl)oxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
578732942
CCOc1cc(cc(c1OCc1ccccc1F)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04031495
ZINC000100948377

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Available files

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