Vitas-M small molecule compound
2-[(2-hydroxyethyl)amino]-9-methyl-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK817176
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCO)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 C23H30N4O3S2 MW 474.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O3S2/c1-3-4-5-6-7-8-12-27-22(30)18(32-23(27)31)15-17-19(24-11-14-28)25-20-16(2)10-9-13-26(20)21(17)29/h9-10,13,15,24,28H,3-8,11-12,14H2,1-2H3/b18-15-InChIKey
JMWMDGSOKNYGPF-SDXDJHTJSA-NSynonyms
(5Z)5((2(2HYDROXYETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((2hydroxyethyl)amino)9methyl3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCO)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCCO)nc3n(c2=O)cccc3C)C1=O
InChI=1SC23H30N4O3S2c1345678122722(30)18(3223(27)31)151719(24111428)252016(2)1091326(20)21(17)29h91013152428H38111214H212H3b1815
MFCD04573605
ZINC000097946596
ZINC97946596
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