Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705314
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCCO)nc3n(c2=O)cccc3)/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 C21H26N4O3S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S2/c1-2-3-4-5-7-12-25-20(28)16(30-21(25)29)14-15-18(22-10-13-26)23-17-9-6-8-11-24(17)19(15)27/h6,8-9,11,14,22,26H,2-5,7,10,12-13H2,1H3/b16-14-InChIKey
OVERZQKJDZXKMV-PEZBUJJGSA-NSynonyms
(5Z)3HEPTYL5((2(2HYDROXYETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxyethyl)amino)4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCCO)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCCO)nc3n(c2=O)cccc3)C1=O
InChI=1SC21H26N4O3S2c123457122520(28)16(3021(25)29)141518(22101326)23179681124(17)19(15)27h68911142226H257101213H21H3b1614
MFCD04446774
ZINC000096021901
ZINC96021901
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