Vitas-M small molecule compound
(6Z)-2-benzyl-5-imino-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224824
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1)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/c1-16-10-11-23(34-4)22(12-16)31-17(2)13-20(18(31)3)15-21-25(28)32-27(29-26(21)33)35-24(30-32)14-19-8-6-5-7-9-19/h5-13,15,28H,14H2,1-4H3/b21-15-,28-25-InChIKey
BJVTXLDBBVZNGZ-ZAJVCVOBSA-NSynonyms
(6Z)2benzyl5imino6((1(2methoxy5methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2benzyl5imino6((1(2methoxy5methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1)C
MFCD24857908
ZINC000036596237
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