Vitas-M small molecule compound
(6Z)-2-benzyl-6-{[1-(2-ethoxyphenyl)-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
STL224823
SMILES CCOc1ccccc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1
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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/c1-4-34-23-13-9-8-12-22(23)31-17(2)14-20(18(31)3)16-21-25(28)32-27(29-26(21)33)35-24(30-32)15-19-10-6-5-7-11-19/h5-14,16,28H,4,15H2,1-3H3/b21-16-,28-25-InChIKey
MGTJXYXOCIVBKH-KHZAZHPGSA-NSynonyms
(6Z)2benzyl6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2benzyl6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1
MFCD24857907
ZINC000041076249
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