Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-7-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
STK704720
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)NCc1ccc2c(c1)OCO2)/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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/c1-15-4-7-22-28-23(27-11-16-5-6-19-20(9-16)35-14-34-19)18(24(31)29(22)12-15)10-21-25(32)30(26(36)37-21)13-17-3-2-8-33-17/h4-7,9-10,12,17,27H,2-3,8,11,13-14H2,1H3/b21-10-InChIKey
XFUVDCNDHOQQBB-FBHDLOMBSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)7methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)NCC5=CC6=C(C=C5)OCO6)C=C1
InChI=1SC26H24N4O5S2c11547222823(271116561920(916)35143419)18(24(31)29(22)1215)102125(32)30(26(36)3721)13173283317h47910121727H238111314H21H3b2110
MFCD03212836
ZINC000100762859
ZINC000100762864
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