Vitas-M small molecule compound
(6Z)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224934
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(cc1)C(C)C)C)COc1ccccc1
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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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-17(2)20-10-12-22(13-11-20)32-18(3)14-21(19(32)4)15-24-26(29)33-28(30-27(24)34)36-25(31-33)16-35-23-8-6-5-7-9-23/h5-15,17,29H,16H2,1-4H3/b24-15-,29-26-InChIKey
YTALWRLKOZEUGY-RYJLTYISSA-NSynonyms
(6Z)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(phenoxymethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857958
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(cc1)C(C)C)C)COc1ccccc1
ZINC000041076709
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