Vitas-M small molecule compound
(6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225062
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)Cc1ccccc1)C)CCC1CCCCC1
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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 C27H31N5OS MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5OS/c1-18-15-22(19(2)31(18)17-21-11-7-4-8-12-21)16-23-25(28)32-27(29-26(23)33)34-24(30-32)14-13-20-9-5-3-6-10-20/h4,7-8,11-12,15-16,20,28H,3,5-6,9-10,13-14,17H2,1-2H3/b23-16+,28-25-InChIKey
RNMUTXFFMBKBQV-RRSDJOIDSA-NSynonyms
850737-51-8(6E)6((1benzyl25dimethyl1Hpyrrol3yl)methylidene)2(2cyclohexylethyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1benzyl25dimethyl1Hpyrrol3yl)methylene)2(2cyclohexylethyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850737518
MFCD05693413
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)Cc1ccccc1)C)CCC1CCCCC1
ZINC000009290855
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