Vitas-M small molecule compound
dimethyl 2-{2,2,7-trimethyl-1-[(2E)-3-phenylprop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK080446
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)/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 C28H25NO5S3 MW 551.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5S3/c1-16-11-13-18-19(15-16)29(20(30)14-12-17-9-7-6-8-10-17)28(2,3)24(35)21(18)27-36-22(25(31)33-4)23(37-27)26(32)34-5/h6-15H,1-5H3/b14-12+InChIKey
ZOVRKYAVVWDTHU-WYMLVPIESA-NSynonyms
(E)dimethyl2(1cinnamoyl227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=CC4=CC=CC=C4)(C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)C=Cc2ccccc2)S1)C(=O)OC
DIMETHYL2(227TRIMETHYL1((2E)3PHENYLPROP2ENOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1((E)3PHENYLPROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H25NO5S3c11611131819(1516)29(20(30)14121797681017)28(23)24(35)21(18)273622(25(31)334)23(3727)26(32)345h615H15H3b1412+
METHYL2(1((2E)3PHENYLPROP2ENOYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01859278
STK080446
ZINC000097959070
ZINC97959070
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