Vitas-M small molecule compound
(6E)-6-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712416
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)F)C(C)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 C19H14ClFN4O2S MW 416.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN4O2S/c1-9(2)18-24-25-16(22)12(17(26)23-19(25)28-18)8-11-4-6-15(27-11)10-3-5-14(21)13(20)7-10/h3-9,22H,1-2H3/b12-8+,22-16+InChIKey
JKCPEQIRJUXCGR-IYIAEQPYSA-NSynonyms
(6E)6((5(3chloro4fluorophenyl)furan2yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((5(3chloro4fluorophenyl)furan2yl)methylene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD03227356
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1ccc(c(c1)Cl)F)C(C)C
ZINC000032109406
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