Vitas-M small molecule compound
(6Z)-6-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK092304
SMILES COc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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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 C29H25ClN4O5S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O5S/c1-18-8-10-21(11-9-18)37-12-13-38-26-23(30)15-19(16-24(26)36-2)14-22-27(31)34-29(32-28(22)35)40-25(33-34)17-39-20-6-4-3-5-7-20/h3-11,14-16,31H,12-13,17H2,1-2H3/b22-14-,31-27-InChIKey
XMJNNHBJOLBKIF-CJXAQGSISA-NSynonyms
(6Z)6(3chloro5methoxy4(2(4methylphenoxy)ethoxy)benzylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD03079069
STK092304
ZINC000008494456
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