Vitas-M small molecule compound
dimethyl 2-{1-[(acetyloxy)(cyclohexa-1,3-dien-1-yl)acetyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK015913
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(C2=CC=CCC2)OC(=O)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 C29H29NO7S3 MW 599.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO7S3/c1-15-12-13-19-18(14-15)20(28-39-22(26(33)35-5)23(40-28)27(34)36-6)24(38)29(3,4)30(19)25(32)21(37-16(2)31)17-10-8-7-9-11-17/h7-8,10,12-14,21H,9,11H2,1-6H3InChIKey
IUVUFFFXOGGEOZ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(C4=CC=CCC4)OC(=O)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(C2=CC=CCC2)OC(=O)C)S1)C(=O)OC
DIMETHYL2(1((ACETYLOXY)(CYCLOHEXA13DIEN1YL)ACETYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2acetyloxy2cyclohexa13dien1ylacetyl)226trimethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC29H29NO7S3c11512131918(1415)20(283922(26(33)355)23(4028)27(34)366)24(38)29(34)30(19)25(32)21(3716(2)31)17108791117h7810121421H911H216H3
MFCD01795961
STK015913
ZINC000101395973
ZINC000101395976
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.