Vitas-M small molecule compound
(6Z)-6-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017296
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])C(F)(F)F
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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 C17H7BrF3N5O4S MW 514.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7BrF3N5O4S/c18-11-5-7(26(28)29)1-3-9(11)12-4-2-8(30-12)6-10-13(22)25-16(23-14(10)27)31-15(24-25)17(19,20)21/h1-6,22H/b10-6-,22-13-InChIKey
MBYVZXGBKTXEFX-DYBMUXDFSA-NSynonyms
(6Z)6((5(2bromo4nitrophenyl)furan2yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((5(2bromo4nitrophenyl)furan2yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD02993062
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))C(F)(F)F
STK017296
ZINC000008453116
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