Vitas-M small molecule compound
tetramethyl 6'-[(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK005446
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)CN1C(=O)CCC1=O)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 C31H30N2O11S3 MW 702.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O11S3/c1-14-8-9-16-15(12-14)20-25(30(2,3)33(16)19(36)13-32-17(34)10-11-18(32)35)45-22(27(38)42-5)21(26(37)41-4)31(20)46-23(28(39)43-6)24(47-31)29(40)44-7/h8-9,12H,10-11,13H2,1-7H3InChIKey
MLSOXOMMTAVVDQ-UHFFFAOYSA-NSynonyms
CC1=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)CN5C(=O)CCC5=O
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)CN1C(=O)CCC1=O)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC31H30N2O11S3c114891615(1214)2025(30(23)33(16)19(36)133217(34)101118(32)35)4522(27(38)425)21(26(37)414)31(20)4623(28(39)436)24(4731)29(40)447h8912H101113H217H3
MFCD01068166
STK005446
tetramethyl6((25dioxopyrrolidin1yl)acetyl)559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150363280
ZINC150363280
Check stock
See real-time availability and sample size for STK005446 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.