Vitas-M small molecule compound
tetramethyl 8'-methoxy-5',5'-dimethyl-6'-pentanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK073054
SMILES CCCCC(=O)N1c2cc(OC)ccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)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 C30H33NO10S3 MW 663.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO10S3/c1-9-10-11-18(32)31-17-14-15(37-4)12-13-16(17)19-24(29(31,2)3)42-21(26(34)39-6)20(25(33)38-5)30(19)43-22(27(35)40-7)23(44-30)28(36)41-8/h12-14H,9-11H2,1-8H3InChIKey
NGGROLVJKFEIPL-UHFFFAOYSA-NSynonyms
CCCCC(=O)N1C2=C(C=CC(=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCCCC(=O)N1c2cc(OC)ccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC30H33NO10S3c19101118(32)31171415(374)121316(17)1924(29(312)3)4221(26(34)396)20(25(33)385)30(19)4322(27(35)407)23(4430)28(36)418h1214H911H218H3
MFCD01068125
STK073054
tetramethyl8methoxy55dimethyl6pentanoyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl8methoxy55dimethyl6pentanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl8methoxy55dimethyl6pentanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098045433
ZINC98045433
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.