Vitas-M small molecule compound
2-[(2-hydroxyethyl)amino]-7-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
STK705192
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCO)nc3n(c2=O)cc(cc3)C)/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/c1-3-4-5-6-7-8-12-26-22(30)18(32-23(26)31)14-17-20(24-11-13-28)25-19-10-9-16(2)15-27(19)21(17)29/h9-10,14-15,24,28H,3-8,11-13H2,1-2H3/b18-14-InChIKey
MMAWTSKFEXPWCJ-JXAWBTAJSA-NSynonyms
(5Z)5((2(2HYDROXYETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((2hydroxyethyl)amino)7methyl3((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)cc(cc3)C)C1=O
InChI=1SC23H30N4O3S2c1345678122622(30)18(3223(26)31)141720(24111328)251910916(2)1527(19)21(17)29h91014152428H381113H212H3b1814
MFCD04520480
ZINC000097946615
ZINC97946615
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