Vitas-M small molecule compound
dimethyl 2-{8-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789079
SMILES CCOc1cccc2c1N(C(=O)c1ccc(cc1)C)C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
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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 C28H27NO6S3 MW 569.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO6S3/c1-7-35-18-10-8-9-17-19(27-37-21(25(31)33-5)22(38-27)26(32)34-6)23(36)28(3,4)29(20(17)18)24(30)16-13-11-15(2)12-14-16/h8-14H,7H2,1-6H3InChIKey
NYDIFPWREUXGCR-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)C
CCOc1cccc2c1N(C(=O)c1ccc(cc1)C)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(8ethoxy22dimethyl1((4methylphenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(8ETHOXY22DIMETHYL1(4METHYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy22dimethyl1(4methylbenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H27NO6S3c17351810891719(273721(25(31)335)22(3827)26(32)346)23(36)28(34)29(20(17)18)24(30)16131115(2)121416h814H7H216H3
MFCD00658076
ZINC000059824553
ZINC59824553
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