Vitas-M small molecule compound
4-{(5Z)-4-oxo-5-[(4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STL236921
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cccc3)/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 C22H26N4O5S2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S2/c1-14(2)31-12-6-9-23-19-15(20(29)25-10-4-3-7-17(25)24-19)13-16-21(30)26(22(32)33-16)11-5-8-18(27)28/h3-4,7,10,13-14,23H,5-6,8-9,11-12H2,1-2H3,(H,27,28)/b16-13-InChIKey
NNUDADPWBPIDIL-SSZFMOIBSA-NSynonyms
836638-05-2(Z)4(5((2((3isopropoxypropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)4oxo5((4oxo2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin3yl)methylidene)2thioxo13thiazolidin3yl)butanoicacid
4((5Z)4OXO5((4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
836638052
CC(C)OCCCNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCCC(=O)O
InChI=1SC22H26N4O5S2c114(2)311269231915(20(29)251043717(25)2419)131621(30)26(22(32)3316)115818(27)28h34710131423H56891112H212H3(H2728)b1613
MFCD03690037
OC(=O)CCCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cccc3)C1=O
ZINC000009462343
ZINC9462343
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.