Vitas-M small molecule compound
2-[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
STK576330
SMILES OC(=O)C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)[nH]1)C
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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/c1-7(21(28)29)25-19(26)14-10-6-11(15(14)20(25)27)16-13(10)12(8-2-4-9(23)5-3-8)17-18(31-16)24-22(30)32-17/h2-5,7,10-16H,6H2,1H3,(H,24,30)(H,28,29)InChIKey
CQWNJRDHSMFJFZ-UHFFFAOYSA-NSynonyms
1025013-83-51025013835
2((4aR5R5aR8aR9S)10(4chlorophenyl)268trioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
2(10(4chlorophenyl)268trioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=C(C=C6)Cl
InChI=1SC22H19ClN2O5S2c17(21(28)29)2519(26)1410611(15(14)20(25)27)1613(10)12(8249(23)538)1718(3116)2422(30)3217h2571016H6H21H3(H2430)(H2829)
MFCD05838699
OC(=O)C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)(nH)1)C
ZINC000239287362
ZINC000239287365
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.