Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK064159
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(c(c2)OC)OC)/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 C29H27NO7S3 MW 597.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO7S3/c1-29(2)25(38)22(28-39-23(26(32)36-5)24(40-28)27(33)37-6)17-9-7-8-10-18(17)30(29)21(31)14-12-16-11-13-19(34-3)20(15-16)35-4/h7-15H,1-6H3/b14-12+InChIKey
RJRPRTRODRXZFS-WYMLVPIESA-NSynonyms
(E)dimethyl2(1(3(34dimethoxyphenyl)acryloyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C=CC4=CC(=C(C=C4)OC)OC)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C=Cc2ccc(c(c2)OC)OC)S1)C(=O)OC
DIMETHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3(34DIMETHOXYPHENYL)ACRYLOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H27NO7S3c129(2)25(38)22(283923(26(32)365)24(4028)27(33)376)179781018(17)30(29)21(31)141216111319(343)20(1516)354h715H16H3b1412+
METHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171546
STK064159
ZINC000006190982
ZINC06190982
ZINC6190982
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