Vitas-M small molecule compound
11-{(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoic acid
Catalog ID
STK810907
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/C1=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 C31H43N5O5S2 MW 629.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43N5O5S2/c1-23-12-10-17-35-28(23)33-27(32-14-11-15-34-18-20-41-21-19-34)24(29(35)39)22-25-30(40)36(31(42)43-25)16-9-7-5-3-2-4-6-8-13-26(37)38/h10,12,17,22,32H,2-9,11,13-16,18-21H2,1H3,(H,37,38)/b25-22-InChIKey
VPLSFIROKMEEJA-LVWGJNHUSA-NSynonyms
11((5Z)5((9methyl2((3(morpholin4yl)propyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)NCCCN4CCOCC4
InChI=1SC31H43N5O5S2c1231210173528(23)3327(3214111534182041211934)24(29(35)39)222530(40)36(31(42)4325)16975324681326(37)38h1012172232H291113161821H21H3(H3738)b2522
MFCD03933057
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O
ZINC000100840533
ZINC100840533
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.