Vitas-M small molecule compound
tetraethyl 6'-[(2,5-dioxopyrrolidin-1-yl)acetyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK055584
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)CN1C(=O)CCC1=O)SC(=C(S2)C(=O)OCC)C(=O)OCC
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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 C35H38N2O12S3 MW 774.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O12S3/c1-8-46-30(41)25-26(31(42)47-9-2)50-29-24(35(25)51-27(32(43)48-10-3)28(52-35)33(44)49-11-4)19-16-18(45-7)12-13-20(19)37(34(29,5)6)23(40)17-36-21(38)14-15-22(36)39/h12-13,16H,8-11,14-15,17H2,1-7H3InChIKey
XLDVAMZEMBPDQB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)CN1C(=O)CCC1=O)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)OC)N(C2(C)C)C(=O)CN5C(=O)CCC5=O)C(=O)OCC
InChI=1SC35H38N2O12S3c184630(41)2526(31(42)4792)502924(35(25)5127(32(43)48103)28(5235)33(44)49114)191618(457)121320(19)37(34(295)6)23(40)173621(38)141522(36)39h121316H811141517H217H3
MFCD01948254
STK055584
tetraethyl6((25dioxopyrrolidin1yl)acetyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6(2(25dioxopyrrolidin1yl)acetyl)9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6(2(25dioxopyrrolidin1yl)acetyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392086
ZINC150392086
Check stock
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