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 acetate

Catalog ID
STK132251
SMILES CC(=O)Oc1cc2/C(=C\3/SC(=S)NC3=O)/C(=O)N3c2c(c1)C(=CC3(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 C19H16N2O4S2 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O4S2/c1-8-7-19(3,4)21-14-11(8)5-10(25-9(2)22)6-12(14)13(17(21)24)15-16(23)20-18(26)27-15/h5-7H,1-4H3,(H,20,23,26)/b15-13-
InChIKey
SKCXBEBNJYIATC-SQFISAMPSA-N
Synonyms
650592-87-3
(1Z)446TRIMETHYL2OXO1(4OXO2SULFANYL13THIAZOL5(4H)YLIDENE)12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YLACETATE
(1Z)446TRIMETHYL2OXO1(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YLACETATE
(Z)446trimethyl2oxo1(4oxo2thioxothiazolidin5ylidene)24dihydro1Hpyrrolo(321ij)quinolin8ylacetate
ACETICACID446TRIMETHYL2OXO1(4OXO2THIOXOTHIAZOLIDIN(5Z)YLIDENE)12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YLESTER
CC(=O)Oc1cc2C(=C3SC(=S)NC3=O)C(=O)N3c2c(c1)C(=CC3(C)C)C
CC1=CC(N2C3=C1C=C(C=C3C(=C4C(=O)NC(=S)S4)C2=O)OC(=O)C)(C)C
InChI=1SC19H16N2O4S2c18719(34)211411(8)510(259(2)22)612(14)13(17(21)24)1516(23)2018(26)2715h57H14H3(H202326)b1513
MFCD03941430
ZINC12631649

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.