Vitas-M small molecule compound

6-[(5Z)-5-({7-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

Catalog ID
STK904172
SMILES CC(CNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)C)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 C23H28N4O4S2 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S2/c1-14(2)12-24-20-16(21(30)27-13-15(3)8-9-18(27)25-20)11-17-22(31)26(23(32)33-17)10-6-4-5-7-19(28)29/h8-9,11,13-14,24H,4-7,10,12H2,1-3H3,(H,28,29)/b17-11-
InChIKey
HTXYBIJPUQLIEG-BOPFTXTBSA-N
Synonyms
608497-67-2
(Z)6(5((2(isobutylamino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5Z)5((7methyl2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((7METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
608497672
CC(CNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)C)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)NCC(C)C)C=C1
InChI=1SC23H28N4O4S2c114(2)12242016(21(30)271315(3)8918(27)2520)111722(31)26(23(32)3317)10645719(28)29h8911131424H471012H213H3(H2829)b1711
MFCD03687524
ZINC000009287774
ZINC9287774

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Available files

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