Vitas-M small molecule compound
(1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methoxybenzoate
Catalog ID
STK104536
SMILES COc1ccc(cc1)C(=O)Oc1cc2C(=CC(N3c2c(c1)/C(=C\1/SC(=S)NC1=O)/C3=O)(C)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 C25H20N2O5S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5S2/c1-12-11-25(2,3)27-19-16(12)9-15(32-23(30)13-5-7-14(31-4)8-6-13)10-17(19)18(22(27)29)20-21(28)26-24(33)34-20/h5-11H,1-4H3,(H,26,28,33)/b20-18-InChIKey
DYLPUPJLZVCZEH-ZZEZOPTASA-NSynonyms
524056-30-2(1Z)446TRIMETHYL2OXO1(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YL4METHOXYBENZOATE
(Z)446trimethyl2oxo1(4oxo2thioxothiazolidin5ylidene)24dihydro1Hpyrrolo(321ij)quinolin8yl4methoxybenzoate
524056302
CC1=CC(N2C3=C1C=C(C=C3C(=C4C(=O)NC(=S)S4)C2=O)OC(=O)C5=CC=C(C=C5)OC)(C)C
COc1ccc(cc1)C(=O)Oc1cc2C(=CC(N3c2c(c1)C(=C1SC(=S)NC1=O)C3=O)(C)C)C
InChI=1SC25H20N2O5S2c1121125(23)271916(12)915(3223(30)135714(314)8613)1017(19)18(22(27)29)2021(28)2624(33)3420h511H14H3(H262833)b2018
MFCD03615463
ZINC000002233549
ZINC02233549
ZINC2233549
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