Vitas-M small molecule compound
3-{5-[(Z)-(2-heptyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK005061
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-2-3-4-5-6-10-20-27-28-21(25)18(22(29)26-24(28)33-20)14-17-11-12-19(32-17)15-8-7-9-16(13-15)23(30)31/h7-9,11-14,25H,2-6,10H2,1H3,(H,30,31)/b18-14-,25-21-InChIKey
RNBLHNGMCCTUFB-UNHHKKDLSA-NSynonyms
3(5((Z)(2heptyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoicacid
CCCCCCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)O)C2=N)s1
MFCD02118204
STK005061
ZINC000100656369
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