Vitas-M small molecule compound

tetramethyl 2,2'-[(phenylmethanediyl)bis(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-6-yl-4-ylidene)]bis(1,3-dithiole-4,5-dicarboxylate)

Catalog ID
STK024561
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(ccc3N(C(C2=S)(C)C)C)C(c2ccc3c(c2)/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C(N3C)(C)C)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 C45H42N2O8S6 MW 931.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H42N2O8S6/c1-44(2)36(56)30(42-58-32(38(48)52-7)33(59-42)39(49)53-8)25-20-23(16-18-27(25)46(44)5)29(22-14-12-11-13-15-22)24-17-19-28-26(21-24)31(37(57)45(3,4)47(28)6)43-60-34(40(50)54-9)35(61-43)41(51)55-10/h11-21,29H,1-10H3
InChIKey
CMBQEVCNEWPKNI-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C)C=CC(=C3)C(C4=CC=CC=C4)C5=CC6=C(C=C5)N(C(C(=S)C6=C7SC(=C(S7)C(=O)OC)C(=O)OC)(C)C)C)C
COC(=O)C1=C(SC(=C2c3cc(ccc3N(C(C2=S)(C)C)C)C(c2ccc3c(c2)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C(N3C)(C)C)c2ccccc2)S1)C(=O)OC
DIMETHYL2(6((4(45BIS(METHOXYCARBONYL)13DITHIOL2YLIDENE)122TRIMETHYL3SULFANYLIDENEQUINOLIN6YL)PHENYLMETHYL)122TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC45H42N2O8S6c144(2)36(56)30(425832(38(48)527)33(5942)39(49)538)252023(161827(25)46(44)5)29(22141211131522)2417192826(2124)31(37(57)45(34)47(28)6)436034(40(50)549)35(6143)41(51)5510h112129H110H3
METHYL2(6((4(45BIS(METHOXYCARBONYL)(13DITHIOLEN2YLIDENE))122TRIMETHYL3THIOXO(612DIHYDROQUINOLYL))PHENYLMETHYL)122TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01944639
STK024561
TETRAMETHYL22((PHENYLMETHANEDIYL)BIS(122TRIMETHYL3THIOXO23DIHYDROQUINOLIN6YL4YLIDENE))BIS(13DITHIOLE45DICARBOXYLATE)
tetramethyl22(66(phenylmethylene)bis(122trimethyl3thioxo23dihydroquinoline6(1H)yl4(1H)ylidene))bis(13dithiole45dicarboxylate)
ZINC000150454071
ZINC150454071

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Available files

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