Vitas-M small molecule compound
2-{[3-(1H-imidazol-1-yl)propyl]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
STK810385
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCCn3ccnc3)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 C27H34N6O2S2 MW 538.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N6O2S2/c1-3-4-5-6-7-8-15-33-26(35)22(37-27(33)36)18-21-23(29-12-10-14-31-17-13-28-19-31)30-24-20(2)11-9-16-32(24)25(21)34/h9,11,13,16-19,29H,3-8,10,12,14-15H2,1-2H3/b22-18-InChIKey
NFDYKYAILWJHOL-PYCFMQQDSA-NSynonyms
(5Z)5((2(3IMIDAZOL1YLPROPYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((3(1Himidazol1yl)propyl)amino)9methyl3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCCN4C=CN=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCCCn3ccnc3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC27H34N6O2S2c1345678153326(35)22(3727(33)36)182123(29121014311713281931)302420(2)1191632(24)25(21)34h91113161929H3810121415H212H3b2218
MFCD03932928
ZINC000100840306
ZINC100840306
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