Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224918
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1cccc2c1cccc2)C)c1ccccc1F
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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 C28H20FN5OS MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN5OS/c1-16-14-19(17(2)33(16)24-13-7-9-18-8-3-4-10-20(18)24)15-22-25(30)34-28(31-26(22)35)36-27(32-34)21-11-5-6-12-23(21)29/h3-15,30H,1-2H3/b22-15+,30-25-InChIKey
BZDJMQVPLQRUPU-OXKHQDGYSA-NSynonyms
877789-86-1(6E)6((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877789861
MFCD05701915
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cccc2c1cccc2)C)c1ccccc1F
ZINC000009293407
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