Vitas-M small molecule compound
(6Z)-2-ethyl-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017187
SMILES CCc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)[N+](=O)[O-])/C2=N)s1
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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 C18H13N5O4S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O4S/c1-2-15-21-22-16(19)13(17(24)20-18(22)28-15)9-12-6-7-14(27-12)10-4-3-5-11(8-10)23(25)26/h3-9,19H,2H2,1H3/b13-9-,19-16-InChIKey
FCVVSMJWVGDSJW-WHMPXDRYSA-NSynonyms
(6Z)2ethyl5imino6((5(3nitrophenyl)furan2yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2ethyl5imino6((5(3nitrophenyl)furan2yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)(N+)(=O)(O))C2=N)s1
MFCD02219896
STK017187
ZINC000030819127
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