Vitas-M small molecule compound
3-{(5Z)-5-[(7-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK707354
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)/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/c1-13(2)31-10-4-8-23-19-15(20(29)26-12-14(3)5-6-17(26)24-19)11-16-21(30)25(22(32)33-16)9-7-18(27)28/h5-6,11-13,23H,4,7-10H2,1-3H3,(H,27,28)/b16-11-InChIKey
TVADOXLWOMZGME-WJDWOHSUSA-NSynonyms
714933-63-8(Z)3(5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((7methyl4oxo2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
714933638
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCCCOC(C)C)C=C1
InChI=1SC22H26N4O5S2c113(2)311048231915(20(29)261214(3)5617(26)2419)111621(30)25(22(32)3316)9718(27)28h56111323H4710H213H3(H2728)b1611
MFCD03686196
OC(=O)CCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)C1=O
ZINC000009291661
ZINC9291661
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.