Vitas-M small molecule compound
(6Z)-6-{4-[2-(3,5-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
STL239579
SMILES COc1cc(ccc1OCCOc1cc(C)cc(c1)C)/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/c1-17-11-18(2)13-21(12-17)36-9-10-37-23-7-6-19(15-24(23)35-3)14-22-25(29)33-28(31-26(22)34)38-27(32-33)20-5-4-8-30-16-20/h4-8,11-16,29H,9-10H2,1-3H3/b22-14-,29-25-InChIKey
BQECHJUNOXZQOC-WNCRWICOSA-NSynonyms
847915-11-1(6Z)6(4(2(35dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(35dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847915111
COc1cc(ccc1OCCOc1cc(C)cc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04185981
ZINC000101152131
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