Vitas-M small molecule compound
3-[(5Z)-5-{[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK906037
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(Oc3cc(C)cc(c3)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 C23H19N3O5S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S2/c1-13-9-14(2)11-15(10-13)31-20-16(21(29)25-7-4-3-5-18(25)24-20)12-17-22(30)26(23(32)33-17)8-6-19(27)28/h3-5,7,9-12H,6,8H2,1-2H3,(H,27,28)/b17-12-InChIKey
HYQOSKUCZBWOQQ-ATVHPVEESA-NSynonyms
842964-42-5(Z)3(5((2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((2(35dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(35DIMETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
842964425
CC1=CC(=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC(=O)O)C
InChI=1SC23H19N3O5S2c113914(2)1115(1013)312016(21(29)25743518(25)2420)121722(30)26(23(32)3317)8619(27)28h357912H68H212H3(H2728)b1712
MFCD04162269
OC(=O)CCN1C(=S)SC(=Cc2c(Oc3cc(C)cc(c3)C)nc3n(c2=O)cccc3)C1=O
ZINC000013759475
ZINC13759475
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.