Vitas-M small molecule compound
(6Z)-6-({1-[2-(3,4-dimethylphenoxy)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
STK828072
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(c(c3)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 C26H25N5O2S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2S/c1-4-23-29-31-24(27)21(25(32)28-26(31)34-23)14-18-15-30(22-8-6-5-7-20(18)22)11-12-33-19-10-9-16(2)17(3)13-19/h5-10,13-15,27H,4,11-12H2,1-3H3/b21-14-,27-24-InChIKey
DUBKKVQJUXFYQV-QFVKKHJYSA-NSynonyms
(6Z)6((1(2(34dimethylphenoxy)ethyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2(34dimethylphenoxy)ethyl)1Hindol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(c(c3)C)C)C2=N)s1
MFCD02643047
ZINC000033148378
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