Vitas-M small molecule compound
tetramethyl 6'-[(1,3-benzothiazol-2-yloxy)acetyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK025461
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)COc1nc3c(s1)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
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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 C33H28N2O10S4 MW 740.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O10S4/c1-32(2)26-21(16-11-7-9-13-18(16)35(32)20(36)15-45-31-34-17-12-8-10-14-19(17)46-31)33(22(27(37)41-3)23(47-26)28(38)42-4)48-24(29(39)43-5)25(49-33)30(40)44-6/h7-14H,15H2,1-6H3InChIKey
MULHWQHPHJQQJZ-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)COC4=NC5=CC=CC=C5S4)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)COc1nc3c(s1)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H28N2O10S4c132(2)2621(1611791318(16)35(32)20(36)1545313417128101419(17)4631)33(22(27(37)413)23(4726)28(38)424)4824(29(39)435)25(4933)30(40)446h714H15H216H3
MFCD01171406
STK025461
tetramethyl6((13benzothiazol2yloxy)acetyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13benzothiazol2yloxy)acetyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(benzo(d)thiazol2yloxy)acetyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008430379
ZINC08430379
ZINC8430379
Check stock
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Check stock on Vitas-MAvailable files
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