Vitas-M small molecule compound
diethyl 2-{2,2,7-trimethyl-1-[(2E)-3-phenylprop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK034578
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccccc2)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 C30H29NO5S3 MW 579.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO5S3/c1-6-35-27(33)24-25(28(34)36-7-2)39-29(38-24)23-20-15-13-18(3)17-21(20)31(30(4,5)26(23)37)22(32)16-14-19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3/b16-14+InChIKey
CDSZGWIAROTBRH-JQIJEIRASA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C=CC4=CC=CC=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C=Cc2ccccc2)C)S1)C(=O)OCC
DIETHYL2(227TRIMETHYL1((2E)3PHENYLPROP2ENOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(227TRIMETHYL1((E)3PHENYLPROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(1((2E)3PHENYLPROP2ENOYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC30H29NO5S3c163527(33)2425(28(34)3672)3929(3824)2320151318(3)1721(20)31(30(45)26(23)37)22(32)1614191198101219h817H67H215H3b1614+
MFCD01859177
STK034578
ZINC000097958465
ZINC97958465
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.