Vitas-M small molecule compound

9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione

Catalog ID
STK508469
SMILES COc1cc2C(=O)C(=O)N3c2c(c1)c1c(=S)n(sc1C3(C)C)c1ccc(cc1)OCc1ccccc1

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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 C28H22N2O4S2 MW 514.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O4S2/c1-28(2)25-22(20-13-19(33-3)14-21-23(20)29(28)26(32)24(21)31)27(35)30(36-25)17-9-11-18(12-10-17)34-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKey
DKTYULQCBPOOPR-UHFFFAOYSA-N
Synonyms
689745-19-5
689745195
9(4(benzyloxy)phenyl)2methoxy77dimethyl10thioxo910dihydro4Hisothiazolo(54c)pyrrolo(321ij)quinoline45(7H)dione
9(4(benzyloxy)phenyl)2methoxy77dimethyl10thioxo910dihydro7Hpyrrolo(321ij)(12)thiazolo(54c)quinoline45dione
CC1(C2=C(C3=CC(=CC4=C3N1C(=O)C4=O)OC)C(=S)N(S2)C5=CC=C(C=C5)OCC6=CC=CC=C6)C
InChI=1SC28H22N2O4S2c128(2)2522(201319(333)142123(20)29(28)26(32)24(21)31)27(35)30(3625)1791118(121017)3415167546816h414H15H213H3
MFCD03856075
ZINC000002359176
ZINC02359176
ZINC2359176

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Available files

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