Vitas-M small molecule compound

diethyl 2-{2,2,6-trimethyl-1-[(4-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STL070934
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C)/S1)C(=O)OCC

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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 C29H29NO5S3 MW 567.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5S3/c1-7-34-26(32)22-23(27(33)35-8-2)38-28(37-22)21-19-15-17(4)11-14-20(19)30(29(5,6)24(21)36)25(31)18-12-9-16(3)10-13-18/h9-15H,7-8H2,1-6H3
InChIKey
HHEPXXZNMBKJLP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=C(C=C4)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C)S1)C(=O)OCC
diethyl2(226trimethyl1((4methylphenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(226TRIMETHYL1(4METHYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(226trimethyl1(4methylbenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H29NO5S3c173426(32)2223(27(33)3582)3828(3722)21191517(4)111420(19)30(29(56)24(21)36)25(31)1812916(3)101318h915H78H216H3
MFCD00526447
ZINC000059706084
ZINC59706084

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Available files

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