Vitas-M small molecule compound
diethyl 2-{2,2,8-trimethyl-1-[(naphthalen-2-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789754
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)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 C33H31NO6S3 MW 633.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO6S3/c1-6-38-30(36)27-28(31(37)39-7-2)43-32(42-27)25-23-14-10-11-19(3)26(23)34(33(4,5)29(25)41)24(35)18-40-22-16-15-20-12-8-9-13-21(20)17-22/h8-17H,6-7,18H2,1-5H3InChIKey
NMWGFOQSVPPUGQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C(=CC=C3)C)N(C(C2=S)(C)C)C(=O)COC4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)C)S1)C(=O)OCC
diethyl2(228trimethyl1((naphthalen2yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(228trimethyl1(2(naphthalen2yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(228TRIMETHYL1(2NAPHTHALEN2YLOXYACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC33H31NO6S3c163830(36)2728(31(37)3972)4332(4227)252314101119(3)26(23)34(33(45)29(25)41)24(35)18402216152012891321(20)1722h817H6718H215H3
MFCD01859361
ZINC000097999380
ZINC97999380
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.