Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-benzothiazol-2-yloxy)acetyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789471
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)COc2nc3c(s2)cccc3)/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 C28H24N2O6S4 MW 612.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6S4/c1-14-10-11-17-15(12-14)20(26-39-21(24(32)34-4)22(40-26)25(33)35-5)23(37)28(2,3)30(17)19(31)13-36-27-29-16-8-6-7-9-18(16)38-27/h6-12H,13H2,1-5H3InChIKey
XQMNDCUXBINKCC-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)COC4=NC5=CC=CC=C5S4
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)COc2nc3c(s2)cccc3)S1)C(=O)OC
DIMETHYL2(1((13BENZOTHIAZOL2YLOXY)ACETYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13benzothiazol2yloxy)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13BENZOTHIAZOL2YLOXY)ACETYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)thiazol2yloxy)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H24N2O6S4c11410111715(1214)20(263921(24(32)344)22(4026)25(33)355)23(37)28(23)30(17)19(31)1336272916867918(16)3827h612H13H215H3
MFCD01171401
ZINC000008430376
ZINC08430376
ZINC8430376
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