Vitas-M small molecule compound
3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK820018
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCCC2)/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 C21H24N4O2S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S2/c1-2-3-5-13-25-20(27)16(29-21(25)28)14-15-18(23-10-7-8-11-23)22-17-9-4-6-12-24(17)19(15)26/h4,6,9,12,14H,2-3,5,7-8,10-11,13H2,1H3/b16-14-InChIKey
QWSPJGQIRPYJML-PEZBUJJGSA-NSynonyms
(5Z)5((4OXO2PYRROLIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)2(pyrrolidin1yl)4Hpyrido(12a)pyrimidin4one
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCC4)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCCC2)C1=O
InChI=1SC21H24N4O2S2c1235132520(27)16(2921(25)28)141518(2310781123)22179461224(17)19(15)26h4691214H23578101113H21H3b1614
MFCD04448708
ZINC000016741303
ZINC16741303
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