Vitas-M small molecule compound
dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK000154
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)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 C28H33NO6S3 MW 575.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO6S3/c1-28(2)24(36)21(27-37-22(25(31)34-4)23(38-27)26(32)35-5)18-15-17(33-3)12-13-19(18)29(28)20(30)14-11-16-9-7-6-8-10-16/h12-13,15-16H,6-11,14H2,1-5H3InChIKey
BYZRXWMBNOYYFL-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CCC4CCCCC4)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)CCC2CCCCC2)S1)C(=O)OC
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H33NO6S3c128(2)24(36)21(273722(25(31)344)23(3827)26(32)355)181517(333)121319(18)29(28)20(30)14111697681016h12131516H61114H215H3
METHYL2(1(3CYCLOHEXYLPROPANOYL)6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01559949
STK000154
ZINC000006190964
ZINC06190964
ZINC6190964
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