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-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811161
SMILES S=C1S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/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 C28H29N5O5S2 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S2/c1-18-4-2-9-32-25(18)30-24(29-7-3-8-31-10-12-36-13-11-31)20(26(32)34)15-23-27(35)33(28(39)40-23)16-19-5-6-21-22(14-19)38-17-37-21/h2,4-6,9,14-15,29H,3,7-8,10-13,16-17H2,1H3/b23-15-InChIKey
VNQZFDXPWLCCCW-HAHDFKILSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((3(morpholin4yl)propyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCCCN6CCOCC6
InChI=1SC28H29N5O5S2c1184293225(18)3024(2973831101236131131)20(26(32)34)152327(35)33(28(39)4023)1619562122(1419)38173721h2469141529H37810131617H21H3b2315
MFCD03933128
S=C1SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000002520558
ZINC2520558
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