Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK079976
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)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 C28H24N2O6S4 MW 612.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6S4/c1-14-10-11-15-17(12-14)30(19(31)13-38-27-29-16-8-6-7-9-18(16)36-27)28(2,3)23(37)20(15)26-39-21(24(32)34-4)22(40-26)25(33)35-5/h6-12H,13H2,1-5H3InChIKey
YBEUYRCBDWKOGD-UHFFFAOYSA-NSynonyms
332019-06-4332019064
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSC4=NC5=CC=CC=C5O4)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)cccc3)C)S1)C(=O)OC
DIMETHYL2(1((13BENZOXAZOL2YLSULFANYL)ACETYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13BENZOXAZOL2YLSULFANYL)ACETYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13BENZOXAZOL2YLSULFANYL)ACETYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H24N2O6S4c11410111517(1214)30(19(31)1338272916867918(16)3627)28(23)23(37)20(15)263921(24(32)344)22(4026)25(33)355h612H13H215H3
MFCD01171265
STK079976
ZINC000008430594
ZINC08430594
ZINC8430594
Check stock
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Check stock on Vitas-MAvailable files
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