Vitas-M small molecule compound
dimethyl 2-{1-[(4-bromophenyl)carbonyl]-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK014607
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)Br)OC)/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 C26H22BrNO6S3 MW 620.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrNO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-11-10-15(32-3)12-17(16)28(26)22(29)13-6-8-14(27)9-7-13/h6-12H,1-5H3InChIKey
FAXRDCJZSGVHRZ-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)Br)C=C(C=C3)OC)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)Br)OC)S1)C(=O)OC
DIMETHYL2(1((4BROMOPHENYL)CARBONYL)7METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4BROMOBENZOYL)7METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4bromobenzoyl)7methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22BrNO6S3c126(2)21(35)18(253619(23(30)334)20(3725)24(31)345)16111015(323)1217(16)28(26)22(29)136814(27)9713h612H15H3
METHYL2(1((4BROMOPHENYL)CARBONYL)7METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01068065
STK014607
ZINC000006190972
ZINC6190972
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