Vitas-M small molecule compound
tetramethyl 6'-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK076648
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)CSc1nc3c(o1)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 C34H30N2O10S4 MW 754.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O10S4/c1-16-12-13-19-17(14-16)22-27(33(2,3)36(19)21(37)15-47-32-35-18-10-8-9-11-20(18)46-32)48-24(29(39)43-5)23(28(38)42-4)34(22)49-25(30(40)44-6)26(50-34)31(41)45-7/h8-14H,15H2,1-7H3InChIKey
KRUSRVHPYHPYJQ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)CSC5=NC6=CC=CC=C6O5
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)CSc1nc3c(o1)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC34H30N2O10S4c11612131917(1416)2227(33(23)36(19)21(37)154732351810891120(18)4632)4824(29(39)435)23(28(38)424)34(22)4925(30(40)446)26(5034)31(41)457h814H15H217H3
MFCD01948996
STK076648
tetramethyl6((13benzoxazol2ylsulfanyl)acetyl)559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13benzoxazol2ylsulfanyl)acetyl)559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(benzo(d)oxazol2ylthio)acetyl)559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999823
ZINC97999823
Check stock
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Check stock on Vitas-MAvailable files
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