Vitas-M small molecule compound
(6Z)-6-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224260
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cc(C)cc(c3)C)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 C22H23N5OS MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5OS/c1-6-19-25-27-20(23)18(21(28)24-22(27)29-19)11-16-10-14(4)26(15(16)5)17-8-12(2)7-13(3)9-17/h7-11,23H,6H2,1-5H3/b18-11-,23-20-InChIKey
ZUHWZCMRAKTEAW-PMVOYJCMSA-NSynonyms
846585-85-1(6Z)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
846585851
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(C)cc(c3)C)C)C2=N)s1
MFCD04175623
ZINC000005215563
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