Vitas-M small molecule compound
(6E)-6-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK002026
SMILES COc1cc(ccc1OCCOc1cc(C)ccc1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
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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 C29H26N4O4S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S/c1-18-9-10-19(2)24(15-18)37-14-13-36-23-12-11-20(17-25(23)35-3)16-22-26(30)33-29(31-27(22)34)38-28(32-33)21-7-5-4-6-8-21/h4-12,15-17,30H,13-14H2,1-3H3/b22-16+,30-26+InChIKey
PFZMARVUGPWJEG-IZRKHXBQSA-NSynonyms
(6E)6(4(2(25dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2phenyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1cc(C)ccc1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
MFCD03184229
STK002026
ZINC000097957746
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