Vitas-M small molecule compound
(6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK026459
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cccn3CCOc3ccc(cc3C)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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-4-19-25-27-20(23)17(21(28)24-22(27)30-19)13-16-6-5-9-26(16)10-11-29-18-8-7-14(2)12-15(18)3/h5-9,12-13,23H,4,10-11H2,1-3H3/b17-13-,23-20-InChIKey
YXUAVBOSUQYDDH-FMEJEFMASA-NSynonyms
(6Z)6((1(2(24dimethylphenoxy)ethyl)1Hpyrrol2yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1nn2c(=NC(=O)C(=Cc3cccn3CCOc3ccc(cc3C)C)C2=N)s1
MFCD08050078
STK026459
ZINC000004592664
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