Vitas-M small molecule compound
3-methyl-2-[2,6,8-trioxo-10-(pyridin-3-yl)-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]butanoic acid
Catalog ID
STK606186
SMILES CC(C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)[nH]1)C(=O)O)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 C23H23N3O5S2 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S2/c1-8(2)16(22(29)30)26-20(27)14-10-6-11(15(14)21(26)28)17-13(10)12(9-4-3-5-24-7-9)18-19(32-17)25-23(31)33-18/h3-5,7-8,10-17H,6H2,1-2H3,(H,25,31)(H,29,30)InChIKey
BHTSHVJHWUBXDJ-UHFFFAOYSA-NSynonyms
1025062-93-41025062934
3methyl2((4aR5R5aR8aR9S)268trioxo10(pyridin3yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)butanoicacid
3methyl2(268trioxo10(pyridin3yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)butanoicacid
CC(C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)(nH)1)C(=O)O)C
CC(C)C(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CN=CC=C6
InChI=1SC23H23N3O5S2c18(2)16(22(29)30)2620(27)1410611(15(14)21(26)28)1713(10)12(94352479)1819(3217)2523(31)3318h35781017H6H212H3(H2531)(H2930)
MFCD05838678
ZINC000238881786
ZINC000238881793
Check stock
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Check stock on Vitas-MAvailable files
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