Vitas-M small molecule compound
tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK078857
SMILES COc1ccc2c(c1)C1=C(C(N2C(=O)CC)(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/c1-9-16(30)29-15-11-10-13(35-4)12-14(15)17-22(27(29,2)3)40-19(24(32)37-6)18(23(31)36-5)28(17)41-20(25(33)38-7)21(42-28)26(34)39-8/h10-12H,9H2,1-8H3InChIKey
LNUCSTCDEYZHGU-UHFFFAOYSA-NSynonyms
CCC(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
COc1ccc2c(c1)C1=C(C(N2C(=O)CC)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC28H29NO10S3c1916(30)2915111013(354)1214(15)1722(27(292)3)4019(24(32)376)18(23(31)365)28(17)4120(25(33)387)21(4228)26(34)398h1012H9H218H3
MFCD00753890
STK078857
tetramethyl9methoxy55dimethyl6propanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6propanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6propionyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008435083
ZINC08435083
ZINC8435083
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.