Vitas-M small molecule compound
4-{5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK532466
SMILES CCCc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)C(=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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-2-3-16-23-24-17(21)14(18(25)22-20(24)29-16)10-13-8-9-15(28-13)11-4-6-12(7-5-11)19(26)27/h4-10,21H,2-3H2,1H3,(H,26,27)/b14-10-,21-17-InChIKey
IHFMDNFJAKOXRR-CTPGJZRESA-NSynonyms
(Z)4(5((5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoicacid
CCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)C(=O)O)C2=N)s1
MFCD02118019
ZINC000031833899
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