Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK079581
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)/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 C27H25NO5S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S3/c1-15-11-12-18-17(13-15)20(26-35-21(24(30)32-4)22(36-26)25(31)33-5)23(34)27(2,3)28(18)19(29)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3InChIKey
KJBDWNXATMTSJJ-UHFFFAOYSA-NSynonyms
303740-40-1303740401
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC4=CC=CC=C4
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)S1)C(=O)OC
DIMETHYL2(226TRIMETHYL1(2PHENYLACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl1(2phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(PHENYLACETYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC27H25NO5S3c11511121817(1315)20(263521(24(30)324)22(3626)25(31)335)23(34)27(23)28(18)19(29)141697681016h613H14H215H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL1(2PHENYLACETYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD00658036
STK079581
ZINC000097944134
ZINC97944134
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