Vitas-M small molecule compound
(6E)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK385936
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccccc3Cl)/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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-2-3-4-9-18-25-26-19(23)15(20(27)24-21(26)29-18)12-13-10-11-17(28-13)14-7-5-6-8-16(14)22/h5-8,10-12,23H,2-4,9H2,1H3/b15-12+,23-19-InChIKey
CEQSKBRYFYQAHD-NCJNOBNRSA-NSynonyms
(6E)6((5(2chlorophenyl)furan2yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccccc3Cl)C2=N)s1
MFCD03649220
ZINC000015945508
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