Vitas-M small molecule compound
tetramethyl 9'-ethoxy-5',5'-dimethyl-6'-[(4-methylphenyl)sulfonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK091831
SMILES CCOc1ccc2c(c1)C1=C(C(N2S(=O)(=O)c2ccc(cc2)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C33H33NO11S4 MW 747.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO11S4/c1-9-45-18-12-15-21-20(16-18)22-27(32(3,4)34(21)49(39,40)19-13-10-17(2)11-14-19)46-24(29(36)42-6)23(28(35)41-5)33(22)47-25(30(37)43-7)26(48-33)31(38)44-8/h10-16H,9H2,1-8H3InChIKey
JBYBHWZHBSXAIV-UHFFFAOYSA-NSynonyms
CCOC1=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)S(=O)(=O)C5=CC=C(C=C5)C
CCOc1ccc2c(c1)C1=C(C(N2S(=O)(=O)c2ccc(cc2)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H33NO11S4c19451812152120(1618)2227(32(34)34(21)49(3940)19131017(2)111419)4624(29(36)426)23(28(35)415)33(22)4725(30(37)437)26(4833)31(38)448h1016H9H218H3
MFCD01949710
STK091831
tetramethyl9ethoxy55dimethyl6((4methylphenyl)sulfonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(4methylphenyl)sulfonylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6tosyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150358992
ZINC150358992
Check stock
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Check stock on Vitas-MAvailable files
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