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]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811542
SMILES S=C1S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3C)/C(=O)N1Cc1ccccc1
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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/c1-17-6-5-11-31-25(17)30-24(29-14-19-9-10-21-22(12-19)36-16-35-21)20(26(31)33)13-23-27(34)32(28(37)38-23)15-18-7-3-2-4-8-18/h2-13,29H,14-16H2,1H3/b23-13-InChIKey
WZDSPTJESMJLKD-QRVIBDJDSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BENZYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCC5=CC6=C(C=C5)OCO6
InChI=1SC28H22N4O4S2c11765113125(17)3024(2914199102122(1219)36163521)20(26(31)33)132327(34)32(28(37)3823)15187324818h21329H1416H21H3b2313
MFCD03212814
S=C1SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3C)C(=O)N1Cc1ccccc1
ZINC000100762803
ZINC100762803
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