Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL146000
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)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 C26H30ClN5OS MW 496.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN5OS/c1-5-6-7-8-9-10-23-30-32-24(28)21(25(33)29-26(32)34-23)14-19-13-17(3)31(18(19)4)20-12-11-16(2)22(27)15-20/h11-15,28H,5-10H2,1-4H3/b21-14+,28-24-InChIKey
FBCHKYNYBASDAH-RUKGZDQOSA-NSynonyms
861628-62-8(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861628628
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)C)C)C2=N)s1
MFCD05684708
ZINC000101200743
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