Vitas-M small molecule compound
3-[(5Z)-5-{[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK813636
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCOCC2)/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 C20H20N4O5S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S2/c1-12-2-3-15-21-17(22-6-8-29-9-7-22)13(18(27)24(15)11-12)10-14-19(28)23(20(30)31-14)5-4-16(25)26/h2-3,10-11H,4-9H2,1H3,(H,25,26)/b14-10-InChIKey
AJODXRQJSVMLSY-UVTDQMKNSA-NSynonyms
505079-01-63((5Z)5((7methyl2(morpholin4yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((7METHYL2MORPHOLIN4YL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3(5((7METHYL2MORPHOLINO4OXO4HPYRIDO(12A)PYRIMIDIN3YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)PROPANOICACID
505079016
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)N4CCOCC4)C=C1
InChI=1SC20H20N4O5S2c11223152117(2268299722)13(18(27)24(15)1112)101419(28)23(20(30)3114)5416(25)26h231011H49H21H3(H2526)b1410
MFCD03496111
OC(=O)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCOCC2)C1=O
ZINC000002508686
ZINC2508686
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.