Vitas-M small molecule compound
(6Z)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712737
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(cc1)C(C)C)C)c1ccccc1
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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 C27H25N5OS MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS/c1-16(2)19-10-12-22(13-11-19)31-17(3)14-21(18(31)4)15-23-24(28)32-27(29-25(23)33)34-26(30-32)20-8-6-5-7-9-20/h5-16,28H,1-4H3/b23-15-,28-24-InChIKey
ZJVNNWMXSSXJDG-IQGIQZAKSA-NSynonyms
(6Z)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)5imino2phenyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)2phenyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD13371478
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(cc1)C(C)C)C)c1ccccc1
ZINC000033735887
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