Vitas-M small molecule compound
tetramethyl 6'-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-8'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789695
SMILES CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
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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 C35H32N2O10S5 MW 800.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N2O10S5/c1-8-47-17-13-14-18-20(15-17)37(22(38)16-48-33-36-19-11-9-10-12-21(19)49-33)34(2,3)28-23(18)35(24(29(39)43-4)25(50-28)30(40)44-5)51-26(31(41)45-6)27(52-35)32(42)46-7/h9-15H,8,16H2,1-7H3InChIKey
BHNKQFHONSZWGK-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)SC(=C(C36SC(=C(S6)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC35H32N2O10S5c18471713141820(1517)37(22(38)1648333619119101221(19)4933)34(23)2823(18)35(24(29(39)434)25(5028)30(40)445)5126(31(41)456)27(5235)32(42)467h915H816H217H3
MFCD01156110
tetramethyl6((13benzothiazol2ylsulfanyl)acetyl)8ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13benzothiazol2ylsulfanyl)acetyl)8ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(benzo(d)thiazol2ylthio)acetyl)8ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425726
ZINC08425726
ZINC8425726
Check stock
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Check stock on Vitas-MAvailable files
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