Vitas-M small molecule compound
(6E)-6-{[1-(5-chloro-2-methylphenyl)-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
STL224811
SMILES CCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(Cl)ccc3C)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 C25H28ClN5OS MW 482.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN5OS/c1-5-6-7-8-9-22-29-31-23(27)20(24(32)28-25(31)33-22)13-18-12-16(3)30(17(18)4)21-14-19(26)11-10-15(21)2/h10-14,27H,5-9H2,1-4H3/b20-13+,27-23-InChIKey
LPKJACAGUKEXES-ZJRJFNEPSA-NSynonyms
850191-02-5(6E)6((1(5chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2hexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(5chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2hexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850191025
CCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)ccc3C)C)C2=N)s1
MFCD05690619
ZINC000009309747
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