Vitas-M small molecule compound
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenoxyacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK025667
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccccc2)/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 C27H25NO7S3 MW 571.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7S3/c1-27(2)23(36)20(26-37-21(24(30)33-4)22(38-26)25(31)34-5)17-13-16(32-3)11-12-18(17)28(27)19(29)14-35-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3InChIKey
IWXFUSBBWRCJSK-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)COC4=CC=CC=C4)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccccc2)S1)C(=O)OC
DIMETHYL2(6METHOXY22DIMETHYL1(2PHENOXYACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(PHENOXYACETYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC27H25NO7S3c127(2)23(36)20(263721(24(30)334)22(3826)25(31)345)171316(323)111218(17)28(27)19(29)14351597681015h613H14H215H3
METHYL2(6METHOXY22DIMETHYL1(2PHENOXYACETYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01896546
STK025667
ZINC000100112964
ZINC100112964
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Check stock on Vitas-MAvailable files
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