Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881262
SMILES CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(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 C28H30N4O4S2 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S2/c1-2-3-4-5-6-8-13-29-25-20(26(33)31-14-9-7-10-24(31)30-25)16-23-27(34)32(28(37)38-23)17-19-11-12-21-22(15-19)36-18-35-21/h7,9-12,14-16,29H,2-6,8,13,17-18H2,1H3/b23-16-InChIKey
LKBSMTLIYQAUJJ-KQWNVCNZSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(OCTYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((2(octylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(octylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5
CCCCCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
InChI=1SC28H30N4O4S2c123456813292520(26(33)3114971024(31)3025)162327(34)32(28(37)3823)171911122122(1519)36183521h7912141629H268131718H21H3b2316
MFCD03684384
ZINC000097947236
ZINC97947236
Check stock
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Check stock on Vitas-MAvailable files
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