Vitas-M small molecule compound
tetramethyl 6'-[(4-ethylphenoxy)acetyl]-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK043697
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)COc1ccc(cc1)CC)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 C36H37NO10S3 MW 739.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO10S3/c1-10-20-11-13-21(14-12-20)47-17-24(38)37-23-16-19(3)18(2)15-22(23)25-30(35(37,4)5)48-27(32(40)44-7)26(31(39)43-6)36(25)49-28(33(41)45-8)29(50-36)34(42)46-9/h11-16H,10,17H2,1-9H3InChIKey
JNDGBKMBWPYWGC-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)OCC(=O)N2C3=CC(=C(C=C3C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)COc1ccc(cc1)CC)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC36H37NO10S3c11020111321(141220)471724(38)37231619(3)18(2)1522(23)2530(35(374)5)4827(32(40)447)26(31(39)436)36(25)4928(33(41)458)29(5036)34(42)469h1116H1017H219H3
MFCD03302444
STK043697
tetramethyl6((4ethylphenoxy)acetyl)5589tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(4ethylphenoxy)acetyl)5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(4ethylphenoxy)acetyl)5589tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150442301
ZINC150442301
Check stock
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Check stock on Vitas-MAvailable files
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