Vitas-M small molecule compound
(6Z)-2-(2-chlorophenyl)-6-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224866
SMILES Cc1ccc(c(c1)C)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
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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 C26H22ClN5OS MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS/c1-14-9-10-22(15(2)11-14)31-16(3)12-18(17(31)4)13-20-23(28)32-26(29-24(20)33)34-25(30-32)19-7-5-6-8-21(19)27/h5-13,28H,1-4H3/b20-13-,28-23-InChIKey
KSBBBLGIRUJALD-XWGCQZKZSA-NSynonyms
(6Z)2(2chlorophenyl)6((1(24dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2chlorophenyl)6((1(24dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1ccc(c(c1)C)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
MFCD24857925
ZINC000033906804
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