Vitas-M small molecule compound
tetramethyl 5',5',9'-trimethyl-6'-pentanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK395062
SMILES CCCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
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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 C30H33NO9S3 MW 647.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO9S3/c1-9-10-11-18(32)31-17-13-12-15(2)14-16(17)19-24(29(31,3)4)41-21(26(34)38-6)20(25(33)37-5)30(19)42-22(27(35)39-7)23(43-30)28(36)40-8/h12-14H,9-11H2,1-8H3InChIKey
FEUNEFWKFPOFPQ-UHFFFAOYSA-NSynonyms
CCCCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC30H33NO9S3c19101118(32)3117131215(2)1416(17)1924(29(313)4)4121(26(34)386)20(25(33)375)30(19)4222(27(35)397)23(4330)28(36)408h1214H911H218H3
MFCD00627119
tetramethyl559trimethyl6pentanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6pentanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000004091163
ZINC4091163
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