Vitas-M small molecule compound
(1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methoxybenzoate
Catalog ID
STL056713
SMILES COc1ccccc1C(=O)Oc1cc2C(C)CC(N3c2c(c1)/C(=C\1/SC(=NC1=O)S)/C3=O)(C)C
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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 C25H22N2O5S2 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S2/c1-12-11-25(2,3)27-19-15(12)9-13(32-23(30)14-7-5-6-8-17(14)31-4)10-16(19)18(22(27)29)20-21(28)26-24(33)34-20/h5-10,12H,11H2,1-4H3,(H,26,28,33)/b20-18-InChIKey
WPTLBGXXIFTROC-ZZEZOPTASA-NSynonyms
714918-18-0(1Z)446trimethyl2oxo1(4oxo2sulfanyl13thiazol5(4H)ylidene)1256tetrahydro4Hpyrrolo(321ij)quinolin8yl2methoxybenzoate
714918180
COc1ccccc1C(=O)Oc1cc2C(C)CC(N3c2c(c1)C(=C1SC(=NC1=O)S)C3=O)(C)C
InChI=1SC25H22N2O5S2c1121125(23)271915(12)913(3223(30)14756817(14)314)1016(19)18(22(27)29)2021(28)2624(33)3420h51012H11H214H3(H262833)b2018
MFCD05732746
ZINC000017248834
ZINC000017248839
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