Vitas-M small molecule compound
{(5Z)-5-[(9-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}acetic acid
Catalog ID
STK881406
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(NCCCOC(C)C)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 C21H24N4O5S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S2/c1-12(2)30-9-5-7-22-17-14(19(28)24-8-4-6-13(3)18(24)23-17)10-15-20(29)25(11-16(26)27)21(31)32-15/h4,6,8,10,12,22H,5,7,9,11H2,1-3H3,(H,26,27)/b15-10-InChIKey
KODKIUHBKPPWKN-GDNBJRDFSA-NSynonyms
780775-41-9((5Z)5((9methyl4oxo2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((2((3isopropoxypropyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((9METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
780775419
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)NCCCOC(C)C
InChI=1SC21H24N4O5S2c112(2)30957221714(19(28)2484613(3)18(24)2317)101520(29)25(1116(26)27)21(31)3215h468101222H57911H213H3(H2627)b1510
MFCD03690298
OC(=O)CN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cccc3C)C1=O
ZINC000013713512
ZINC13713512
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.