Vitas-M small molecule compound
tetramethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789135
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)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 C28H29NO10S3 MW 635.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO10S3/c1-9-39-14-10-11-16-15(12-14)17-22(27(3,4)29(16)13(2)30)40-19(24(32)36-6)18(23(31)35-5)28(17)41-20(25(33)37-7)21(42-28)26(34)38-8/h10-12H,9H2,1-8H3InChIKey
WLYXEEFKKFBMOI-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)C(=O)C
InChI=1SC28H29NO10S3c19391410111615(1214)1722(27(34)29(16)13(2)30)4019(24(32)366)18(23(31)355)28(17)4120(25(33)377)21(4228)26(34)388h1012H9H218H3
MFCD01088405
tetramethyl6acetyl9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000096022876
ZINC96022876
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