Vitas-M small molecule compound
[10-(4-methoxyphenyl)-6,8-dioxo-2-thioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid
Catalog ID
STK595071
SMILES COc1ccc(cc1)C1C2C(Sc3c1sc(=S)[nH]3)C1CC2C2C1C(=O)N(C2=O)CC(=O)O
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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 C22H20N2O5S3 MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S3/c1-29-9-4-2-8(3-5-9)13-14-10-6-11(17(14)31-19-18(13)32-22(30)23-19)16-15(10)20(27)24(21(16)28)7-12(25)26/h2-5,10-11,13-17H,6-7H2,1H3,(H,23,30)(H,25,26)InChIKey
FFEXWLQEJQCFAH-UHFFFAOYSA-NSynonyms
1177730-34-5(10(4methoxyphenyl)68dioxo2thioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)aceticacid
1177730345
2(10(4methoxyphenyl)68dioxo2thioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)aceticacid
COC1=CC=C(C=C1)C2C3C4CC(C3SC5=C2SC(=S)N5)C6C4C(=O)N(C6=O)CC(=O)O
COc1ccc(cc1)C1C2C(Sc3c1sc(=S)(nH)3)C1CC2C2C1C(=O)N(C2=O)CC(=O)O
InChI=1SC22H20N2O5S3c1299428(359)131410611(17(14)311918(13)3222(30)2319)1615(10)20(27)24(21(16)28)712(25)26h2510111317H67H21H3(H2330)(H2526)
MFCD07413814
ZINC000239611822
ZINC000239611825
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