Vitas-M small molecule compound
dimethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK072905
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)C)(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 C21H21NO6S3 MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6S3/c1-10(23)22-13-8-7-11(26-4)9-12(13)14(17(29)21(22,2)3)20-30-15(18(24)27-5)16(31-20)19(25)28-6/h7-9H,1-6H3InChIKey
LOSMOYMLUCAEGQ-UHFFFAOYSA-NSynonyms
336175-29-2336175292
CC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C)(C)C
DIMETHYL2(1ACETYL6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1ACETYL6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC21H21NO6S3c110(23)22138711(264)912(13)14(17(29)21(222)3)203015(18(24)275)16(3120)19(25)286h79H16H3
METHYL2(1ACETYL6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01562940
STK072905
ZINC000004182169
ZINC04182169
ZINC4182169
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