Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811710
SMILES S=C1S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3C)/C(=O)N1CC1CCCO1
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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 C26H24N4O5S2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S2/c1-15-4-2-8-29-23(15)28-22(27-12-16-6-7-19-20(10-16)35-14-34-19)18(24(29)31)11-21-25(32)30(26(36)37-21)13-17-5-3-9-33-17/h2,4,6-8,10-11,17,27H,3,5,9,12-14H2,1H3/b21-11-InChIKey
XTFMMFUVCGJQMZ-NHDPSOOVSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)9methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)NCC5=CC6=C(C=C5)OCO6
InChI=1SC26H24N4O5S2c1154282923(15)2822(271216671920(1016)35143419)18(24(29)31)112125(32)30(26(36)3721)13175393317h246810111727H3591214H21H3b2111
MFCD03212817
ZINC000002390584
ZINC000100762809
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