Vitas-M small molecule compound

dimethyl 2-(4,4,8-trimethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK136406
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc4c3N(C(C2=S)(C)C)C(=O)C4=O)/S1)C(=O)OC

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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 C21H17NO6S3 MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO6S3/c1-8-6-9-11(20-30-14(18(25)27-4)15(31-20)19(26)28-5)16(29)21(2,3)22-12(9)10(7-8)13(23)17(22)24/h6-7H,1-5H3
InChIKey
QWCBLFNUHCJPQT-UHFFFAOYSA-N
Synonyms
488852-56-8
488852568
CC1=CC2=C3C(=C1)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C(N3C(=O)C2=O)(C)C
COC(=O)C1=C(SC(=C2c3cc(C)cc4c3N(C(C2=S)(C)C)C(=O)C4=O)S1)C(=O)OC
dimethyl2(448trimethyl12dioxo5thioxo1245tetrahydro6Hpyrrolo(321ij)quinolin6ylidene)13dithiole45dicarboxylate
dimethyl2(448trimethyl12dioxo5thioxo45dihydro1Hpyrrolo(321ij)quinolin6(2H)ylidene)13dithiole45dicarboxylate
InChI=1SC21H17NO6S3c186911(203014(18(25)274)15(3120)19(26)285)16(29)21(23)2212(9)10(78)13(23)17(22)24h67H15H3
MFCD03294723
ZINC000009851216
ZINC09851216
ZINC9851216

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Available files

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