Vitas-M small molecule compound
tetramethyl 6'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-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
STK067614
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1OC)C(=O)CN1C(=O)c3c(C1=O)cccc3)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 C35H30N2O12S3 MW 766.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O12S3/c1-34(2)27-21(35(22(30(41)46-4)24(50-27)31(42)47-5)51-25(32(43)48-6)26(52-35)33(44)49-7)18-13-10-14-19(45-3)23(18)37(34)20(38)15-36-28(39)16-11-8-9-12-17(16)29(36)40/h8-14H,15H2,1-7H3InChIKey
PQTRCMNTXDQKRP-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=CC=C3)OC)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)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)c3c(C1=O)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC35H30N2O12S3c134(2)2721(35(22(30(41)464)24(5027)31(42)475)5125(32(43)486)26(5235)33(44)497)1813101419(453)23(18)37(34)20(38)153628(39)1611891217(16)29(36)40h814H15H217H3
MFCD01051541
STK067614
tetramethyl6((13dioxo13dihydro2Hisoindol2yl)acetyl)7methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindol2yl)acetyl)7methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindolin2yl)acetyl)7methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999710
ZINC97999710
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