Vitas-M small molecule compound
3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811453
SMILES OCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCCC1
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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 C21H24N4O3S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S2/c1-13-6-5-10-24-18(13)23-17(22-9-11-26)15(19(24)27)12-16-20(28)25(21(29)30-16)14-7-3-2-4-8-14/h5-6,10,12,14,22,26H,2-4,7-9,11H2,1H3/b16-12-InChIKey
KDGFULAVINDTTO-VBKFSLOCSA-NSynonyms
(5Z)3CYCLOHEXYL5((2(2HYDROXYETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxyethyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4CCCCC4)NCCO
InChI=1SC21H24N4O3S2c11365102418(13)2317(2291126)15(19(24)27)121620(28)25(21(29)3016)147324814h561012142226H247911H21H3b1612
MFCD03933144
OCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCCC1
ZINC000002520567
ZINC2520567
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