Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methoxyphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905068
SMILES COc1ccc(cc1)Oc1nc2ccccn2c(=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 C27H19N3O6S2 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O6S2/c1-33-17-6-8-18(9-7-17)36-24-19(25(31)29-11-3-2-4-23(29)28-24)13-22-26(32)30(27(37)38-22)14-16-5-10-20-21(12-16)35-15-34-20/h2-13H,14-15H2,1H3/b22-13-InChIKey
WBXKKCSBDWJUQM-XKZIYDEJSA-NSynonyms
(5Z)3(13benzodioxol5ylmethyl)5((2(4methoxyphenoxy)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4methoxyphenoxy)4Hpyrido(12a)pyrimidin4one
COC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
COc1ccc(cc1)Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
InChI=1SC27H19N3O6S2c133176818(9717)362419(25(31)291132423(29)2824)132226(32)30(27(37)3822)14165102021(1216)35153420h213H1415H21H3b2213
MFCD18076224
ZINC000097947376
ZINC97947376
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