Vitas-M small molecule compound
methyl 4-[3-(furan-2-ylcarbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Catalog ID
STK516519
SMILES COC(=O)c1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=C1C(=O)c1ccco1)O
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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 C25H18N2O6S MW 474.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O6S/c1-13-5-10-16-18(12-13)34-25(26-16)27-20(14-6-8-15(9-7-14)24(31)32-2)19(22(29)23(27)30)21(28)17-4-3-11-33-17/h3-12,20,29H,1-2H3InChIKey
NQEMKAZOMKQEJW-UHFFFAOYSA-NSynonyms
608114-69-8608114698
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=C(C=C5)C(=O)OC
InChI=1SC25H18N2O6Sc1135101618(1213)3425(2616)2720(146815(9714)24(31)322)19(22(29)23(27)30)21(28)1743113317h3122029H12H3
METHYL4(3(FURAN2CARBONYL)4HYDROXY1(6METHYL13BENZOTHIAZOL2YL)5OXO2HPYRROL2YL)BENZOATE
methyl4(3(furan2ylcarbonyl)4hydroxy1(6methyl13benzothiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD06264395
ZINC000016742352
ZINC000016742353
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