Vitas-M small molecule compound

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

Catalog ID
STK558079
SMILES COc1cc(ccc1OCCOc1cc(C)ccc1C)/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 C28H25N5O4S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4S/c1-17-6-7-18(2)23(13-17)37-12-11-36-22-9-8-19(15-24(22)35-3)14-21-25(29)33-28(31-26(21)34)38-27(32-33)20-5-4-10-30-16-20/h4-10,13-16,29H,11-12H2,1-3H3/b21-14-,29-25-
InChIKey
KUDJPSMQEGZNKQ-BRFNIDEBSA-N
Synonyms
585550-96-5
(6Z)6(4(2(25dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(25dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
585550965
COc1cc(ccc1OCCOc1cc(C)ccc1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04029959
ZINC000101084037

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Available files

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