Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(4-methylphenyl)-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
STL145957
SMILES CCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)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 C25H29N5OS MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5OS/c1-5-6-7-8-9-22-28-30-23(26)21(24(31)27-25(30)32-22)15-19-14-17(3)29(18(19)4)20-12-10-16(2)11-13-20/h10-15,26H,5-9H2,1-4H3/b21-15+,26-23-InChIKey
ZJVCGXHNVFYJNF-RGXZFPMGSA-NSynonyms
877801-22-4(6E)6((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)2hexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)2hexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877801224
CCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C)C)C2=N)s1
MFCD05704081
ZINC000009293564
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