Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL032768
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(ccc3C)[N+](=O)[O-])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 C22H22N6O3S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3S/c1-5-6-19-25-27-20(23)17(21(29)24-22(27)32-19)10-15-9-13(3)26(14(15)4)18-11-16(28(30)31)8-7-12(18)2/h7-11,23H,5-6H2,1-4H3/b17-10+,23-20-InChIKey
OZSXWRIUYLSTBP-HBAVDNSESA-NSynonyms
714917-83-6(6E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714917836
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(ccc3C)(N+)(=O)(O))C)C2=N)s1
MFCD05705772
ZINC000009293663
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