Vitas-M small molecule compound
(6E)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017588
SMILES CCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccc(cc3)C3CCCCC3)/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 C30H31N5O2S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O2S/c1-2-27-33-35-28(31)25(29(36)32-30(35)38-27)18-22-19-34(26-11-7-6-10-24(22)26)16-17-37-23-14-12-21(13-15-23)20-8-4-3-5-9-20/h6-7,10-15,18-20,31H,2-5,8-9,16-17H2,1H3/b25-18+,31-28+InChIKey
VIDFDIRONCNNNR-DSKIOOEGSA-NSynonyms
(6E)6((1(2(4cyclohexylphenoxy)ethyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2(4cyclohexylphenoxy)ethyl)1Hindol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(cc3)C3CCCCC3)C2=N)s1
MFCD02996608
STK017588
ZINC000008986196
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