Vitas-M small molecule compound

dimethyl 2-{1-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK071858
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2sc3c(c2Cl)cccc3)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 C28H22ClNO5S4 MW 616.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClNO5S4/c1-13-10-11-14-16(12-13)30(24(31)20-19(29)15-8-6-7-9-17(15)37-20)28(2,3)23(36)18(14)27-38-21(25(32)34-4)22(39-27)26(33)35-5/h6-12H,1-5H3
InChIKey
FZWVROPFAHSIRW-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=C(C5=CC=CC=C5S4)Cl)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2sc3c(c2Cl)cccc3)C)S1)C(=O)OC
DIMETHYL2(1((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CHLORO1BENZOTHIOPHENE2CARBONYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(3chlorobenzo(b)thiophene2carbonyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H22ClNO5S4c11310111416(1213)30(24(31)2019(29)15867917(15)3720)28(23)23(36)18(14)273821(25(32)344)22(3927)26(33)355h612H15H3
METHYL2(1((3CHLOROBENZO(B)THIOPHEN2YL)CARBONYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD03190374
STK071858
ZINC000100115888
ZINC100115888

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Available files

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