Vitas-M small molecule compound

dimethyl 2-{2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STL070939
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)[N+](=O)[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 C25H20N2O7S3 MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7S3/c1-25(2)20(35)17(24-36-18(22(29)33-3)19(37-24)23(30)34-4)15-10-5-6-11-16(15)26(25)21(28)13-8-7-9-14(12-13)27(31)32/h5-12H,1-4H3
InChIKey
DWHBEDUCZGWJMV-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)(N+)(=O)(O))S1)C(=O)OC
DIMETHYL2(1(3NITROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(22dimethyl1((3nitrophenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(22DIMETHYL1(3NITROBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(22dimethyl1(3nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H20N2O7S3c125(2)20(35)17(243618(22(29)333)19(3724)23(30)344)1510561116(15)26(25)21(28)1387914(1213)27(31)32h512H14H3
MFCD00658089
ZINC000006191003
ZINC06191003
ZINC6191003

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Available files

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