Vitas-M small molecule compound
3-[10-(4-methoxyphenyl)-2,6,8-trioxo-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]propanoic acid
Catalog ID
STK711860
SMILES COc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C1CC2C2C1C(=O)N(C2=O)CCC(=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 C23H22N2O6S2 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S2/c1-31-10-4-2-9(3-5-10)14-15-11-8-12(18(15)32-20-19(14)33-23(30)24-20)17-16(11)21(28)25(22(17)29)7-6-13(26)27/h2-5,11-12,14-18H,6-8H2,1H3,(H,24,30)(H,26,27)InChIKey
YWCKXCYCFNVUGT-UHFFFAOYSA-NSynonyms
1177118-65-81177118658
3(10(4methoxyphenyl)268trioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
3(10(4methoxyphenyl)268trioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
COC1=CC=C(C=C1)C2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)CCC(=O)O
COc1ccc(cc1)C1C2C(Sc3c1sc(=O)(nH)3)C1CC2C2C1C(=O)N(C2=O)CCC(=O)O
InChI=1SC23H22N2O6S2c13110429(3510)141511812(18(15)322019(14)3323(30)2420)1716(11)21(28)25(22(17)29)7613(26)27h2511121418H68H21H3(H2430)(H2627)
MFCD04574791
ZINC000238950599
ZINC000238950602
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