Vitas-M small molecule compound
dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK022615
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CCC1CCCCC1)(C)C
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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 C29H35NO6S3 MW 589.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO6S3/c1-6-36-18-13-14-20-19(16-18)22(28-38-23(26(32)34-4)24(39-28)27(33)35-5)25(37)29(2,3)30(20)21(31)15-12-17-10-8-7-9-11-17/h13-14,16-17H,6-12,15H2,1-5H3InChIKey
WEFJPVJLBSYGJC-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CCC4CCCCC4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CCC1CCCCC1)(C)C
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H35NO6S3c16361813142019(1618)22(283823(26(32)344)24(3928)27(33)355)25(37)29(23)30(20)21(31)151217108791117h13141617H61215H215H3
METHYL2(1(3CYCLOHEXYLPROPANOYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01561428
STK022615
ZINC000006631047
ZINC06631047
ZINC6631047
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