Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK542376
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C25H22N4O4S3 MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S3/c1-15-3-2-6-28-21(15)26-22(27-7-9-35-10-8-27)17(23(28)30)12-20-24(31)29(25(34)36-20)13-16-4-5-18-19(11-16)33-14-32-18/h2-6,11-12H,7-10,13-14H2,1H3/b20-12-InChIKey
LFKSKSNMLRLHDR-NDENLUEZSA-NSynonyms
488709-67-7(5Z)3(13BENZODIOXOL5YLMETHYL)5((9METHYL4OXO2THIOMORPHOLIN4YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((9methyl4oxo2thiomorpholino4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(thiomorpholin4yl)4Hpyrido(12a)pyrimidin4one
3(2HBENZO(34D)13DIOXOLAN5YLMETHYL)5((9METHYL4OXO2(14THIAZAPERHYDROIN4YL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
488709677
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)N6CCSCC6
InChI=1SC25H22N4O4S3c1153262821(15)2622(27793510827)17(23(28)30)122024(31)29(25(34)3620)1316451819(1116)33143218h261112H7101314H21H3b2012
MFCD03290837
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCSCC2)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000100841988
ZINC100841988
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