Vitas-M small molecule compound
dimethyl 2-{1-[(2-iodophenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789086
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2I)/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 C26H22INO5S3 MW 651.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22INO5S3/c1-13-10-11-17-15(12-13)18(25-35-19(23(30)32-4)20(36-25)24(31)33-5)21(34)26(2,3)28(17)22(29)14-8-6-7-9-16(14)27/h6-12H,1-5H3InChIKey
ZVCZHCSPAMNLKH-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4I
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2I)S1)C(=O)OC
dimethyl2(1((2iodophenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2IODOBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2iodobenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22INO5S3c11310111715(1213)18(253519(23(30)324)20(3625)24(31)335)21(34)26(23)28(17)22(29)14867916(14)27h612H15H3
METHYL2(1((2IODOPHENYL)CARBONYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00658094
ZINC000097996138
ZINC97996138
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