Vitas-M small molecule compound
methyl 2-{5-[(E)-(5-imino-7-oxo-2-pentyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK092000
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccccc3C(=O)OC)/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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-3-4-5-10-19-26-27-20(24)17(21(28)25-23(27)32-19)13-14-11-12-18(31-14)15-8-6-7-9-16(15)22(29)30-2/h6-9,11-13,24H,3-5,10H2,1-2H3/b17-13+,24-20-InChIKey
TUDNNJGCNZWPHK-BBXOUBNGSA-NSynonyms
CCCCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccccc3C(=O)OC)C2=N)s1
methyl2(5((E)(5imino7oxo2pentyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD08672840
STK092000
ZINC000013894847
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