Vitas-M small molecule compound
tetraethyl 5',5',9'-trimethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK074440
SMILES CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2N(C1(C)C)C(=O)C(C)C)C(=O)OCC)C(=O)OCC)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 C33H39NO9S3 MW 689.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO9S3/c1-10-40-28(36)22-23(29(37)41-11-2)44-26-21(33(22)45-24(30(38)42-12-3)25(46-33)31(39)43-13-4)19-16-18(7)14-15-20(19)34(32(26,8)9)27(35)17(5)6/h14-17H,10-13H2,1-9H3InChIKey
RLPIAXXZSFBLOK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2N(C1(C)C)C(=O)C(C)C)C(=O)OCC)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C(C)C)C(=O)OCC
InChI=1SC33H39NO9S3c1104028(36)2223(29(37)41112)442621(33(22)4524(30(38)42123)25(4633)31(39)43134)191618(7)141520(19)34(32(268)9)27(35)17(5)6h1417H1013H219H3
MFCD01156147
STK074440
tetraethyl559trimethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6isobutyryl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999876
ZINC97999876
Check stock
See real-time availability and sample size for STK074440 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.