Vitas-M small molecule compound

tetramethyl 5',5',7',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK789405
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1C)C(=O)C(C)C)SC(=C(S2)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 C30H33NO9S3 MW 647.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO9S3/c1-13(2)24(32)31-19-15(4)11-14(3)12-16(19)17-23(29(31,5)6)41-20(26(34)38-8)18(25(33)37-7)30(17)42-21(27(35)39-9)22(43-30)28(36)40-10/h11-13H,1-10H3
InChIKey
MPEDTQDYCDLEAG-UHFFFAOYSA-N
Synonyms

CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)C(C)C)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC30H33NO9S3c113(2)24(32)311915(4)1114(3)1216(19)1723(29(315)6)4120(26(34)388)18(25(33)377)30(17)4221(27(35)399)22(4330)28(36)4010h1113H110H3
MFCD01156186
tetramethyl5579tetramethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5579tetramethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6isobutyryl5579tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425734
ZINC08425734
ZINC8425734

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Available files

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