Vitas-M small molecule compound

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

Catalog ID
STL239382
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(c(c1)C)C)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 C27H23N5O3S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S/c1-17-5-8-22(14-18(17)2)35-13-12-34-21-9-6-19(7-10-21)15-23-24(28)32-27(30-25(23)33)36-26(31-32)20-4-3-11-29-16-20/h3-11,14-16,28H,12-13H2,1-2H3/b23-15-,28-24-
InChIKey
SGZFGSGRBIQTJX-IQGIQZAKSA-N
Synonyms
847046-13-3
(6Z)6(4(2(34dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(34dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847046133
MFCD04182141
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(cc1)OCCOc1ccc(c(c1)C)C)c1cccnc1
ZINC000009159284

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Available files

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