Vitas-M small molecule compound
tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(2-oxo-2-phenylethyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK000876
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OCC)cc1)CC(=O)c1ccccc1)SC(=C(S2)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 C38H41NO10S3 MW 767.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41NO10S3/c1-8-45-23-18-19-25-24(20-23)27-32(37(6,7)39(25)21-26(40)22-16-14-13-15-17-22)50-29(34(42)47-10-3)28(33(41)46-9-2)38(27)51-30(35(43)48-11-4)31(52-38)36(44)49-12-5/h13-20H,8-12,21H2,1-7H3InChIKey
FBCBIBOQRQYPSV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OCC)cc1)CC(=O)c1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OCC)C(=O)OCC)SC(=C(S4)C(=O)OCC)C(=O)OCC)(C)C)CC(=O)C5=CC=CC=C5
InChI=1SC38H41NO10S3c18452318192524(2023)2732(37(67)39(25)2126(40)22161413151722)5029(34(42)47103)28(33(41)4692)38(27)5130(35(43)48114)31(5238)36(44)49125h1320H81221H217H3
MFCD01954949
STK000876
tetraethyl9ethoxy55dimethyl6(2oxo2phenylethyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl9ethoxy55dimethyl6(2oxo2phenylethyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl9ethoxy55dimethyl6phenacylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999798
ZINC97999798
Check stock
See real-time availability and sample size for STK000876 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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