Vitas-M small molecule compound
dimethyl 2-{1-[(2-bromophenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789013
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)C)/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 C26H22BrNO5S3 MW 604.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrNO5S3/c1-13-10-11-15-17(12-13)28(22(29)14-8-6-7-9-16(14)27)26(2,3)21(34)18(15)25-35-19(23(30)32-4)20(36-25)24(31)33-5/h6-12H,1-5H3InChIKey
HUDJTQFGLYGGLM-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4Br)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)C)S1)C(=O)OC
dimethyl2(1((2bromophenyl)carbonyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2BROMOBENZOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2BROMOBENZOYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2bromobenzoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22BrNO5S3c11310111517(1213)28(22(29)14867916(14)27)26(23)21(34)18(15)253519(23(30)324)20(3625)24(31)335h612H15H3
METHYL2(1((2BROMOPHENYL)CARBONYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00643402
ZINC000008435532
ZINC08435532
ZINC8435532
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