Vitas-M small molecule compound
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881411
SMILES CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl
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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 C28H31ClN4O2S2 MW 555.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN4O2S2/c1-3-4-5-6-7-10-15-30-24-21(26(34)32-16-11-12-19(2)25(32)31-24)17-23-27(35)33(28(36)37-23)18-20-13-8-9-14-22(20)29/h8-9,11-14,16-17,30H,3-7,10,15,18H2,1-2H3/b23-17-InChIKey
MOIRJLZAMPBCSF-QJOMJCCJSA-NSynonyms
(5Z)3((2CHLOROPHENYL)METHYL)5((9METHYL2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2chlorobenzyl)5((9methyl2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(2chlorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(octylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl
CCCCCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1Cl
InChI=1SC28H31ClN4O2S2c1345671015302421(26(34)3216111219(2)25(32)3124)172327(35)33(28(36)3723)182013891422(20)29h891114161730H37101518H212H3b2317
MFCD03688423
ZINC000097947255
ZINC97947255
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