Vitas-M small molecule compound
dimethyl 2-{1-[(2-bromophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789010
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)/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 C25H20BrNO5S3 MW 590.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrNO5S3/c1-25(2)20(33)17(24-34-18(22(29)31-3)19(35-24)23(30)32-4)14-10-6-8-12-16(14)27(25)21(28)13-9-5-7-11-15(13)26/h5-12H,1-4H3InChIKey
UGPZYFLFTJXLLX-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=CC=C4Br)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)S1)C(=O)OC
dimethyl2(1((2bromophenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2BROMOBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2BROMOBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2bromobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H20BrNO5S3c125(2)20(33)17(243418(22(29)313)19(3524)23(30)324)1410681216(14)27(25)21(28)139571115(13)26h512H14H3
METHYL2(1((2BROMOPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00643399
ZINC000008435531
ZINC08435531
ZINC8435531
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