Vitas-M small molecule compound

3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

Catalog ID
STK707392
SMILES OC(c1ccccc1)CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)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 C24H22N4O5S2 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S2/c1-14-6-5-10-27-21(14)26-20(25-13-17(29)15-7-3-2-4-8-15)16(22(27)32)12-18-23(33)28(24(34)35-18)11-9-19(30)31/h2-8,10,12,17,25,29H,9,11,13H2,1H3,(H,30,31)/b18-12-
InChIKey
WANOVQFEUNAHFM-PDGQHHTCSA-N
Synonyms
714921-52-5
(Z)3(5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
714921525
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCC(C4=CC=CC=C4)O
InChI=1SC24H22N4O5S2c11465102721(14)2620(251317(29)157324815)16(22(27)32)121823(33)28(24(34)3518)11919(30)31h281012172529H91113H21H3(H3031)b1812
MFCD05694110
OC(c1ccccc1)CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O
ZINC000001885434
ZINC000001885438

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Available files

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