Vitas-M small molecule compound
(6E)-2-(2-cyclohexylethyl)-6-{[1-(2-fluorophenyl)-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
STL225069
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccccc1F)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 C26H28FN5OS MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FN5OS/c1-16-14-19(17(2)31(16)22-11-7-6-10-21(22)27)15-20-24(28)32-26(29-25(20)33)34-23(30-32)13-12-18-8-4-3-5-9-18/h6-7,10-11,14-15,18,28H,3-5,8-9,12-13H2,1-2H3/b20-15+,28-24-InChIKey
DCSFPCKYJQGHCH-DXIABUPBSA-NSynonyms
847178-49-8(6E)2(2cyclohexylethyl)6((1(2fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)6((1(2fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847178498
MFCD04183964
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccccc1F)C)CCC1CCCCC1
ZINC000009159776
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