Vitas-M small molecule compound
(6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK558533
SMILES O=C(N1CCCCC1)Cc1nn2c(=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 C23H20N6O5S MW 492.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O5S/c24-21-17(12-16-7-8-18(34-16)14-5-4-6-15(11-14)29(32)33)22(31)25-23-28(21)26-19(35-23)13-20(30)27-9-2-1-3-10-27/h4-8,11-12,24H,1-3,9-10,13H2/b17-12-,24-21-InChIKey
QXUHQKFWZTWFIY-GXRVDCRFSA-NSynonyms
579443-93-9(6Z)5imino6((5(3nitrophenyl)furan2yl)methylidene)2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6((5(3nitrophenyl)furan2yl)methylene)2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
579443939
MFCD04032858
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)(N+)(=O)(O))C2=N)s1
ZINC000009191216
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