Vitas-M small molecule compound
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK090631
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)CCC2CCCCC2)/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 C29H35NO5S3 MW 573.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO5S3/c1-16-14-19-20(15-17(16)2)30(21(31)13-12-18-10-8-7-9-11-18)29(3,4)25(36)22(19)28-37-23(26(32)34-5)24(38-28)27(33)35-6/h14-15,18H,7-13H2,1-6H3InChIKey
YQLIHSMTMTWSTF-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CCC4CCCCC4)(C)C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)CCC2CCCCC2)S1)C(=O)OC
dimethyl2(1(3cyclohexylpropanoyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(3cyclohexylpropanoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H35NO5S3c116141920(1517(16)2)30(21(31)131218108791118)29(34)25(36)22(19)283723(26(32)345)24(3828)27(33)356h141518H713H216H3
MFCD01559823
STK090631
ZINC000008440692
ZINC08440692
ZINC8440692
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.