Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905623
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/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 C28H32N4O3S2 MW 536.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3S2/c1-3-4-5-6-10-15-32-27(35)23(37-28(32)36)17-21-24(29-18-22(33)20-13-8-7-9-14-20)30-25-19(2)12-11-16-31(25)26(21)34/h7-9,11-14,16-17,22,29,33H,3-6,10,15,18H2,1-2H3/b23-17-InChIKey
UEEDDRJCAYRYOA-QJOMJCCJSA-NSynonyms
862210-23-9(5Z)3HEPTYL5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3heptyl5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
862210239
CCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC(C4=CC=CC=C4)O)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)C1=O
InChI=1SC28H32N4O3S2c1345610153227(35)23(3728(32)36)172124(291822(33)20138791420)302519(2)12111631(25)26(21)34h7911141617222933H36101518H212H3b2317
MFCD05697814
ZINC000101236132
ZINC000101236136
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.