Vitas-M small molecule compound
diethyl 2-[2,2,6-trimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK105879
SMILES CCOC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)Cc2ccccc2)/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/c1-6-34-26(32)23-24(27(33)35-7-2)38-28(37-23)22-19-15-17(3)13-14-20(19)30(29(4,5)25(22)36)21(31)16-18-11-9-8-10-12-18/h8-15H,6-7,16H2,1-5H3InChIKey
KIZDUCCPCRGSPM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)Cc2ccccc2)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C(=O)OCC
DIETHYL2(226TRIMETHYL1(2PHENYLACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(226trimethyl1(2phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(226TRIMETHYL1(PHENYLACETYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2(226TRIMETHYL1(2PHENYLACETYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC29H29NO5S3c163426(32)2324(27(33)3572)3828(3723)22191517(3)131420(19)30(29(45)25(22)36)21(31)16181198101218h815H6716H215H3
MFCD03296415
ZINC000100118198
ZINC100118198
Check stock
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Check stock on Vitas-MAvailable files
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