Vitas-M small molecule compound
(6Z)-2-butyl-6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224402
SMILES CCCCc1sc2=NC(=O)/C(=C\c3cc(n(c3C)c3ccccc3CC)C)/C(=N)n2n1
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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 C24H27N5OS MW 433.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5OS/c1-5-7-12-21-27-29-22(25)19(23(30)26-24(29)31-21)14-18-13-15(3)28(16(18)4)20-11-9-8-10-17(20)6-2/h8-11,13-14,25H,5-7,12H2,1-4H3/b19-14-,25-22-InChIKey
MEDBJRMPZRTLEF-HZLKLEQGSA-NSynonyms
(6Z)2butyl6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2butyl6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCCc1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3CC)C)C(=N)n2n1
MFCD24857758
ZINC000033829054
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