Vitas-M small molecule compound
3-[10-(4-chlorophenyl)-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
STK573384
SMILES OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)[nH]1
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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 C22H19ClN2O5S2 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5S2/c23-9-3-1-8(2-4-9)13-14-10-7-11(17(14)31-19-18(13)32-22(30)24-19)16-15(10)20(28)25(21(16)29)6-5-12(26)27/h1-4,10-11,13-17H,5-7H2,(H,24,30)(H,26,27)InChIKey
MATJXMNZTLPUPO-UHFFFAOYSA-NSynonyms
1177663-94-31177663943
3((4aR5R5aR8aR9S)10(4chlorophenyl)268trioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
3(10(4chlorophenyl)268trioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)SC5=C(C3C6=CC=C(C=C6)Cl)SC(=O)N5
InChI=1SC22H19ClN2O5S2c239318(249)131410711(17(14)311918(13)3222(30)2419)1615(10)20(28)25(21(16)29)6512(26)27h1410111317H57H2(H2430)(H2627)
MFCD05838698
OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)(nH)1
ZINC000247394453
ZINC000247394482
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.