Vitas-M small molecule compound
dimethyl 2-(1-acryloyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK031257
SMILES C=CC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(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 C22H21NO5S3 MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S3/c1-7-14(24)23-13-9-8-11(2)10-12(13)15(18(29)22(23,3)4)21-30-16(19(25)27-5)17(31-21)20(26)28-6/h7-10H,1H2,2-6H3InChIKey
JROLGIBROJJLQG-UHFFFAOYSA-NSynonyms
331973-66-1331973661
C=CC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=C
DIMETHYL2(1ACRYLOYL226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL1PROP2ENOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC22H21NO5S3c1714(24)23139811(2)1012(13)15(18(29)22(233)4)213016(19(25)275)17(3121)20(26)286h710H1H226H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL1PROP2ENOYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD01138007
STK031257
ZINC000013602111
ZINC13602111
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