Vitas-M small molecule compound
(6Z)-6-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK059690
SMILES COc1cc(ccc1OCCOCCOc1ccc(c(c1)C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-5-24-30-31-25(28)21(26(32)29-27(31)37-24)15-19-7-9-22(23(16-19)33-4)36-13-11-34-10-12-35-20-8-6-17(2)18(3)14-20/h6-9,14-16,28H,5,10-13H2,1-4H3/b21-15-,28-25-InChIKey
JHRBABRIALSDEL-ZAJVCVOBSA-NSynonyms
(6Z)6(4(2(2(34dimethylphenoxy)ethoxy)ethoxy)3methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(2(34dimethylphenoxy)ethoxy)ethoxy)3methoxybenzylidene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCOCCOc1ccc(c(c1)C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02991901
STK059690
ZINC000008816917
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