Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145990
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
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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 C27H25N5O2S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2S/c1-5-34-22-11-9-21(10-12-22)31-17(3)14-20(18(31)4)15-23-24(28)32-27(29-25(23)33)35-26(30-32)19-8-6-7-16(2)13-19/h6-15,28H,5H2,1-4H3/b23-15+,28-24-InChIKey
WJLTXRUAQJLLAL-KOGQMRHXSA-NSynonyms
844824-09-5(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(mtolyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844824095
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
MFCD04160763
ZINC000009193181
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