Vitas-M small molecule compound
diethyl 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
STK789014
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)C)/S1)C(=O)OCC
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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 C28H26BrNO5S3 MW 632.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrNO5S3/c1-6-34-25(32)21-22(26(33)35-7-2)38-27(37-21)20-17-13-12-15(3)14-19(17)30(28(4,5)23(20)36)24(31)16-10-8-9-11-18(16)29/h8-14H,6-7H2,1-5H3InChIKey
VOOPRTYAFKEFQM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4Br)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Br)C)S1)C(=O)OCC
diethyl2(1((2bromophenyl)carbonyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(1(2BROMOBENZOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(2BROMOBENZOYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(2bromobenzoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL2(1((2BROMOPHENYL)CARBONYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC28H26BrNO5S3c163425(32)2122(26(33)3572)3827(3721)2017131215(3)1419(17)30(28(45)23(20)36)24(31)1610891118(16)29h814H67H215H3
MFCD00643404
ZINC000008435534
ZINC08435534
ZINC8435534
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