Vitas-M small molecule compound
dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK132433
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)C)/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 C28H27NO5S3 MW 553.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S3/c1-15-12-18-19(13-16(15)2)29(20(30)14-17-10-8-7-9-11-17)28(3,4)24(35)21(18)27-36-22(25(31)33-5)23(37-27)26(32)34-6/h7-13H,14H2,1-6H3InChIKey
AYTQBEHZGXRHJH-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC4=CC=CC=C4)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)C)S1)C(=O)OC
dimethyl2(2267tetramethyl1(2phenylacetyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(2phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H27NO5S3c115121819(1316(15)2)29(20(30)1417108791117)28(34)24(35)21(18)273622(25(31)335)23(3727)26(32)346h713H14H216H3
MFCD03490194
ZINC000100118855
ZINC100118855
Check stock
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Check stock on Vitas-MAvailable files
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