Vitas-M small molecule compound

dimethyl 2-[2,2-dimethyl-1-(phenylcarbonyl)-6-[(phenylcarbonyl)oxy]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK071438
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)OC(=O)c2ccccc2)/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 C32H25NO7S3 MW 631.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25NO7S3/c1-32(2)26(41)23(31-42-24(29(36)38-3)25(43-31)30(37)39-4)21-17-20(40-28(35)19-13-9-6-10-14-19)15-16-22(21)33(32)27(34)18-11-7-5-8-12-18/h5-17H,1-4H3
InChIKey
JJRBDTPDTCCNIM-UHFFFAOYSA-N
Synonyms

4(45BIS(METHOXYCARBONYL)(13DITHIOLEN2YLIDENE))22DIMETHYL1(PHENYLCARBONYL)3THIOXO612DIHYDROQUINOLYLBENZOATE
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=CC=C4)C=CC(=C3)OC(=O)C5=CC=CC=C5)C
COC(=O)C1=C(SC(=C2c3cc(ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)OC(=O)c2ccccc2)S1)C(=O)OC
dimethyl2(1benzoyl6(benzoyloxy)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1BENZOYL6BENZOYLOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(22DIMETHYL1(PHENYLCARBONYL)6((PHENYLCARBONYL)OXY)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC32H25NO7S3c132(2)26(41)23(314224(29(36)383)25(4331)30(37)394)211720(4028(35)191396101419)151622(21)33(32)27(34)18117581218h517H14H3
MFCD01952434
STK071438
ZINC000096022311
ZINC96022311

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Available files

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