Vitas-M small molecule compound

2-[(2-hydroxy-2-phenylethyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK906709
SMILES COCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/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 C24H24N4O4S2 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S2/c1-32-13-7-12-28-23(31)19(34-24(28)33)14-17-21(25-15-18(29)16-8-3-2-4-9-16)26-20-10-5-6-11-27(20)22(17)30/h2-6,8-11,14,18,25,29H,7,12-13,15H2,1H3/b19-14-
InChIKey
NAKOYDQGKQOCOF-RGEXLXHISA-N
Synonyms
877809-36-4
(5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
2((2hydroxy2phenylethyl)amino)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
877809364
COCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)SC1=S
COCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
InChI=1SC24H24N4O4S2c132137122823(31)19(3424(28)33)141721(251518(29)168324916)262010561127(20)22(17)30h2681114182529H7121315H21H3b1914
MFCD05706073
ZINC000009347657
ZINC000009347658

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Available files

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