Vitas-M small molecule compound
(6E)-2-ethyl-5-imino-6-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK836096
SMILES CCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3cc(C)ccc3C(C)C)/C2=N)s1
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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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-5-25-31-33-26(29)22(27(34)30-28(33)36-25)15-19-16-32(23-9-7-6-8-21(19)23)12-13-35-24-14-18(4)10-11-20(24)17(2)3/h6-11,14-17,29H,5,12-13H2,1-4H3/b22-15+,29-26-InChIKey
OHEJPBMYXVKDML-DGDFDKPFSA-NSynonyms
(6E)2ethyl5imino6((1(2(5methyl2(propan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2ethyl5imino6((1(2(2isopropyl5methylphenoxy)ethyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3cc(C)ccc3C(C)C)C2=N)s1
MFCD02992790
ZINC000009353381
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