Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816405
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)NCc1ccc2c(c1)OCO2)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C28H22N4O4S2 MW 542.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4S2/c1-17-7-10-24-30-25(29-13-19-8-9-21-22(11-19)36-16-35-21)20(26(33)31(24)14-17)12-23-27(34)32(28(37)38-23)15-18-5-3-2-4-6-18/h2-12,14,29H,13,15-16H2,1H3/b23-12-InChIKey
WDCUIGFUJMYXQS-FMCGGJTJSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BENZYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCC5=CC6=C(C=C5)OCO6)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)NCc1ccc2c(c1)OCO2)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC28H22N4O4S2c117710243025(291319892122(1119)36163521)20(26(33)31(24)1417)122327(34)32(28(37)3823)15185324618h2121429H131516H21H3b2312
MFCD03212833
ZINC000100762841
ZINC100762841
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