Vitas-M small molecule compound

dimethyl 2-[1-(biphenyl-4-ylcarbonyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK100094
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)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 C32H27NO6S3 MW 617.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO6S3/c1-32(2)27(40)24(31-41-25(29(35)38-4)26(42-31)30(36)39-5)22-17-21(37-3)15-16-23(22)33(32)28(34)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h6-17H,1-5H3
InChIKey
YZAIVEVZSBMXTP-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)c2ccccc2)S1)C(=O)OC
dimethyl2(1((11biphenyl)4carbonyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1((11BIPHENYL)4YLCARBONYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(BIPHENYL4YLCARBONYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(4PHENYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC32H27NO6S3c132(2)27(40)24(314125(29(35)384)26(4231)30(36)395)221721(373)151623(22)33(32)28(34)20131119(121420)1897681018h617H15H3
METHYL2(6METHOXY22DIMETHYL1((4PHENYLPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01036822
ZINC000006190967
ZINC06190967
ZINC6190967

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Available files

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