Vitas-M small molecule compound

dimethyl 2-{1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789426
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CSc1nc2c(s1)cccc2)(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 C28H24N2O6S5 MW 644.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6S5/c1-28(2)23(37)20(26-40-21(24(32)35-4)22(41-26)25(33)36-5)15-12-14(34-3)10-11-17(15)30(28)19(31)13-38-27-29-16-8-6-7-9-18(16)39-27/h6-12H,13H2,1-5H3
InChIKey
HFOJBRRUJPAPPE-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CSC4=NC5=CC=CC=C5S4)C=CC(=C3)OC)C
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSc1nc2c(s1)cccc2)(C)C
DIMETHYL2(1((13BENZOTHIAZOL2YLSULFANYL)ACETYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13benzothiazol2ylsulfanyl)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H24N2O6S5c128(2)23(37)20(264021(24(32)354)22(4126)25(33)365)151214(343)101117(15)30(28)19(31)1338272916867918(16)3927h612H13H215H3
MFCD01171269
ZINC000008430418
ZINC08430418
ZINC8430418

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Available files

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