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Vitas-M small molecule compound

tetramethyl 6'-[(2,5-dioxopyrrolidin-1-yl)acetyl]-7'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK086020
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1OC)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 C31H30N2O12S3 MW 718.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O12S3/c1-30(2)25-19(14-9-8-10-15(41-3)21(14)33(30)18(36)13-32-16(34)11-12-17(32)35)31(20(26(37)42-4)22(46-25)27(38)43-5)47-23(28(39)44-6)24(48-31)29(40)45-7/h8-10H,11-13H2,1-7H3
InChIKey
AQFSTZWCFIWEMA-UHFFFAOYSA-N
Synonyms
328069-91-6
328069916
CC1(C2=C(C3=C(N1C(=O)CN4C(=O)CCC4=O)C(=CC=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1OC)C(=O)CN1C(=O)CCC1=O)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC31H30N2O12S3c130(2)2519(14981015(413)21(14)33(30)18(36)133216(34)111217(32)35)31(20(26(37)424)22(4625)27(38)435)4723(28(39)446)24(4831)29(40)457h810H1113H217H3
MFCD01068171
STK086020
tetramethyl6((25dioxopyrrolidin1yl)acetyl)7methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)7methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)7methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098048802
ZINC98048802

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Available files

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