Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK558070
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/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 C26H20N6O5S MW 528.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O5S/c1-2-36-22-13-17(7-10-21(22)37-15-16-5-8-19(9-6-16)32(34)35)12-20-23(27)31-26(29-24(20)33)38-25(30-31)18-4-3-11-28-14-18/h3-14,27H,2,15H2,1H3/b20-12-,27-23-InChIKey
MFQPUIKGWOIMOM-SBJIIWHNSA-NSynonyms
578723-91-8(6Z)6(3ethoxy4((4nitrobenzyl)oxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4((4nitrobenzyl)oxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
578723918
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04029888
ZINC000101083890
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