Vitas-M small molecule compound

11-[(5Z)-5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

Catalog ID
STL232701
SMILES CC(CNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)C

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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 C27H36N4O4S2 MW 544.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O4S2/c1-19(2)18-28-24-20(25(34)30-15-12-10-13-22(30)29-24)17-21-26(35)31(27(36)37-21)16-11-8-6-4-3-5-7-9-14-23(32)33/h10,12-13,15,17,19,28H,3-9,11,14,16,18H2,1-2H3,(H,32,33)/b21-17-
InChIKey
DTIDEHDFOYVWJI-FXBPSFAMSA-N
Synonyms
608496-79-3
(Z)11(5((2(isobutylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)undecanoicacid
11((5Z)5((2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
608496793
CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O
CC(CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)C
InChI=1SC27H36N4O4S2c119(2)18282420(25(34)301512101322(30)2924)172126(35)31(27(36)3721)161186435791423(32)33h10121315171928H3911141618H212H3(H3233)b2117
MFCD03684640
ZINC000100999450
ZINC100999450

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.