Vitas-M small molecule compound
(6E)-6-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224643
SMILES CCCCCCc1nn2c(=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 C26H31N5OS MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5OS/c1-6-7-8-9-10-23-29-31-24(27)22(25(32)28-26(31)33-23)15-20-14-18(4)30(19(20)5)21-12-16(2)11-17(3)13-21/h11-15,27H,6-10H2,1-5H3/b22-15+,27-24-InChIKey
ITKPKQXDTZBGGR-VBMYQUNLSA-NSynonyms
850825-45-5(6E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2hexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2hexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850825455
CCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(C)cc(c3)C)C)C2=N)s1
MFCD05694162
ZINC000009291152
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