Vitas-M small molecule compound
(6Z)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224565
SMILES COc1ccccc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
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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 C25H21N5O2S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O2S/c1-15-13-18(16(2)29(15)20-11-7-8-12-21(20)32-3)14-19-22(26)30-25(27-23(19)31)33-24(28-30)17-9-5-4-6-10-17/h4-14,26H,1-3H3/b19-14-,26-22-InChIKey
IEKKZEFFTYOCIT-HSWDZJFESA-NSynonyms
(6Z)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2phenyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2phenyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1
MFCD24857815
ZINC000033608988
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