Vitas-M small molecule compound
(6Z)-2-butyl-6-{[1-(3-chloro-2-methylphenyl)-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
STL224557
SMILES CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cccc(c3C)Cl)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 C23H24ClN5OS MW 454.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5OS/c1-5-6-10-20-27-29-21(25)17(22(30)26-23(29)31-20)12-16-11-13(2)28(15(16)4)19-9-7-8-18(24)14(19)3/h7-9,11-12,25H,5-6,10H2,1-4H3/b17-12-,25-21-InChIKey
HALOBWQKXYPKLP-FJUVEKCXSA-NSynonyms
844454-94-0(6Z)2butyl6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2butyl6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844454940
CCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1
MFCD04156074
ZINC000009193047
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