Vitas-M small molecule compound
2-(ethylamino)-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
STK816862
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCC)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 C23H30N4O2S2 MW 458.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O2S2/c1-4-6-7-8-9-10-13-26-22(29)18(31-23(26)30)14-17-20(24-5-2)25-19-12-11-16(3)15-27(19)21(17)28/h11-12,14-15,24H,4-10,13H2,1-3H3/b18-14-InChIKey
GESLSGOAYNBHTA-JXAWBTAJSA-NSynonyms
(5Z)5((2(ETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(ethylamino)7methyl3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCC)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCC)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC23H30N4O2S2c14678910132622(29)18(3123(26)30)141720(2452)2519121116(3)1527(19)21(17)28h1112141524H41013H213H3b1814
MFCD04446172
ZINC000095927180
ZINC95927180
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