Vitas-M small molecule compound
(6E)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL236063
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)Br)/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 C17H16BrN5O3S MW 450.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN5O3S/c18-12-5-4-10(26-12)8-11-15(19)23-17(20-16(11)25)27-13(21-23)9-14(24)22-6-2-1-3-7-22/h4-5,8,19H,1-3,6-7,9H2/b11-8+,19-15-InChIKey
KIRXMUFVNYRVOK-NCOWYRMISA-NSynonyms
848729-86-2(6E)6((5bromofuran2yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((5bromofuran2yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848729862
MFCD04193884
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)Br)C2=N)s1
ZINC000009209894
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